1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine

C17H23N3 — CID 166062456

IUPAC1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)20-16-10-8-15(9-11-16)19-14-6-4-13(12-18)5-7-14/h4-11,19-20H,12,18H2,1-3H3
InChIKeyUUMJHGPZBJDRNY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.10
Rot. Bonds4

About 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine

1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine (PubChem CID 166062456) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
PubChem CID166062456
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(Nc2ccc(CN)cc2)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)20-16-10-8-15(9-11-16)19-14-6-4-13(12-18)5-7-14/h4-11,19-20H,12,18H2,1-3H3
InChIKeyUUMJHGPZBJDRNY-UHFFFAOYSA-N
XLogP4.10
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58745565
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4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
4-(aminomethyl)-N-(4-chlorophenyl)aniline
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1-N-[4-(aminomethyl)phenyl]-4-N-ethyl-4-N-methylbenzene-1,4-diamine
CID 163910890
6-(aminomethyl)-N-tert-butylpyridin-3-amine
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4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
3-[4-(tert-butylamino)anilino]benzaldehyde
CID 168860115
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
4-(aminomethyl)-N-(2-methylpropyl)aniline
CID 83962134
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine (CID 166062456) is 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine is CC(C)(C)Nc1ccc(Nc2ccc(CN)cc2)cc1.
What is the InChIKey of 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine?
The InChIKey is UUMJHGPZBJDRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)20-16-10-8-15(9-11-16)19-14-6-4-13(12-18)5-7-14/h4-11,19-20H,12,18H2,1-3H3.
What are the key properties of 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine?
1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine has a molecular weight of 269.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(aminomethyl)phenyl]-4-N-tert-butylbenzene-1,4-diamine is sourced from PubChem (CID 166062456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).