4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline

C48H56N4 — CID 67706104

IUPAC4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
SMILESCC(Cc1ccc(CC(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1.CC(Cc1cccc(CC(C)c2ccc(N)cc2)c1)c1ccc(N)cc1
InChIInChI=1S/2C24H28N2/c1-17(21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-18(2)22-9-13-24(26)14-10-22;1-17(21-6-10-23(25)11-7-21)14-19-4-3-5-20(16-19)15-18(2)22-8-12-24(26)13-9-22/h3-14,17-18H,15-16,25-26H2,1-2H3;3-13,16-18H,14-15,25-26H2,1-2H3
InChIKeyUILBBHIZSUVDIA-UHFFFAOYSA-N
MW689.00 g/mol
LogP11.09
Rot. Bonds12

About 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline

4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline (PubChem CID 67706104) has the molecular formula C48H56N4 and a molecular weight of 689.00 g/mol. Its IUPAC name is 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
PubChem CID67706104
Molecular FormulaC48H56N4
Molecular Weight689.00 g/mol
Exact Mass688.45
IUPAC Name4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
SMILESCC(Cc1ccc(CC(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1.CC(Cc1cccc(CC(C)c2ccc(N)cc2)c1)c1ccc(N)cc1
InChIInChI=1S/2C24H28N2/c1-17(21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-18(2)22-9-13-24(26)14-10-22;1-17(21-6-10-23(25)11-7-21)14-19-4-3-5-20(16-19)15-18(2)22-8-12-24(26)13-9-22/h3-14,17-18H,15-16,25-26H2,1-2H3;3-13,16-18H,14-15,25-26H2,1-2H3
InChIKeyUILBBHIZSUVDIA-UHFFFAOYSA-N
XLogP11.09
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.00
LogP ≤ 511.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-aminophenyl)propyl]phenol
CID 70385210
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 18363747
4-[1-(3-aminophenyl)propan-2-yl]benzoic acid
CID 67036774
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
4-[1-[4-[2-[4-[1-(4-aminophenyl)undecyl]phenyl]propyl]phenyl]undecyl]aniline
CID 22919758
4-[(2R)-2-(3-aminophenyl)propyl]phenol
CID 174733885
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
2-[2-(4-aminophenyl)propyl]aniline
CID 19370735
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline?
The IUPAC name of 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline (CID 67706104) is 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline.
What is the SMILES notation for 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline?
The canonical SMILES for 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline is CC(Cc1ccc(CC(C)c2ccc(N)cc2)cc1)c1ccc(N)cc1.CC(Cc1cccc(CC(C)c2ccc(N)cc2)c1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline?
The InChIKey is UILBBHIZSUVDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H28N2/c1-17(21-7-11-23(25)12-8-21)15-19-3-5-20(6-4-19)16-18(2)22-9-13-24(26)14-10-22;1-17(21-6-10-23(25)11-7-21)14-19-4-3-5-20(16-19)15-18(2)22-8-12-24(26)13-9-22/h3-14,17-18H,15-16,25-26H2,1-2H3;3-13,16-18H,14-15,25-26H2,1-2H3.
What are the key properties of 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline?
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline has a molecular weight of 689.00 g/mol, XLogP of 11.09, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline is sourced from PubChem (CID 67706104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).