3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine

C24H30N4 — CID 57264580

IUPAC3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)c(N)c1N
InChIInChI=1S/C24H30N4/c1-23(2,15-5-9-17(25)10-6-15)19-13-14-20(22(28)21(19)27)24(3,4)16-7-11-18(26)12-8-16/h5-14H,25-28H2,1-4H3
InChIKeyVVVOIYPVUNNVJP-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.67
Rot. Bonds4

About 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine

3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine (PubChem CID 57264580) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
PubChem CID57264580
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
SMILESCC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)c(N)c1N
InChIInChI=1S/C24H30N4/c1-23(2,15-5-9-17(25)10-6-15)19-13-14-20(22(28)21(19)27)24(3,4)16-7-11-18(26)12-8-16/h5-14H,25-28H2,1-4H3
InChIKeyVVVOIYPVUNNVJP-UHFFFAOYSA-N
XLogP4.67
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.67
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

4-[4-[2-[4-[2-[4-(4-aminophenoxy)-2,3-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,3-dimethylphenoxy]aniline
CID 19020891
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine
CID 138517761
benzene;4-tert-butylaniline
CID 175140068
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 19763520
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;sulfuric acid
CID 67649419
4-[2-(4-aminophenyl)propan-2-yl]-2-chlorophenol
CID 139601186
4-[2-(1,3-oxazol-4-yl)propan-2-yl]aniline
CID 112713222
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The IUPAC name of 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine (CID 57264580) is 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The canonical SMILES for 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine is CC(C)(c1ccc(N)cc1)c1ccc(C(C)(C)c2ccc(N)cc2)c(N)c1N.
What is the InChIKey of 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
The InChIKey is VVVOIYPVUNNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-23(2,15-5-9-17(25)10-6-15)19-13-14-20(22(28)21(19)27)24(3,4)16-7-11-18(26)12-8-16/h5-14H,25-28H2,1-4H3.
What are the key properties of 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine?
3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine has a molecular weight of 374.53 g/mol, XLogP of 4.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[2-(4-aminophenyl)propan-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 57264580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).