N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline

C20H28N2 — CID 174838160

IUPACN-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
SMILESCC(C)Nc1ccc(C(C)c2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-14(2)21-19-10-6-17(7-11-19)16(5)18-8-12-20(13-9-18)22-15(3)4/h6-16,21-22H,1-5H3
InChIKeyICCQKWUYZFGUSE-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.48
Rot. Bonds6

About N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline

N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline (PubChem CID 174838160) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
PubChem CID174838160
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline
SMILESCC(C)Nc1ccc(C(C)c2ccc(NC(C)C)cc2)cc1
InChIInChI=1S/C20H28N2/c1-14(2)21-19-10-6-17(7-11-19)16(5)18-8-12-20(13-9-18)22-15(3)4/h6-16,21-22H,1-5H3
InChIKeyICCQKWUYZFGUSE-UHFFFAOYSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
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3-[4-(propan-2-ylamino)phenyl]butanoic acid
CID 104503331
N-phenyl-4-(1-phenylethyl)aniline
CID 3017553
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
1-N-propan-2-yl-4-N-[1-(4-propan-2-ylphenyl)ethenyl]benzene-1,4-diamine
CID 170967473
1-methyl-N-propan-2-ylpyridin-1-ium-4-amine
CID 90874044
4-benzyl-N-propan-2-ylaniline
CID 22888879
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
6-ethyl-N-propan-2-ylpyridin-3-amine
CID 178080028
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-methanidyl-N-propan-2-ylaniline;pentane;yttrium(3+)
CID 149386177

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline?
The IUPAC name of N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline (CID 174838160) is N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline.
What is the SMILES notation for N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline?
The canonical SMILES for N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline is CC(C)Nc1ccc(C(C)c2ccc(NC(C)C)cc2)cc1.
What is the InChIKey of N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline?
The InChIKey is ICCQKWUYZFGUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-14(2)21-19-10-6-17(7-11-19)16(5)18-8-12-20(13-9-18)22-15(3)4/h6-16,21-22H,1-5H3.
What are the key properties of N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline?
N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline has a molecular weight of 296.46 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[1-[4-(propan-2-ylamino)phenyl]ethyl]aniline is sourced from PubChem (CID 174838160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).