2-hexyl-4-N-phenylbenzene-1,4-diamine

C18H24N2 — CID 67108277

IUPAC2-hexyl-4-N-phenylbenzene-1,4-diamine
SMILESCCCCCCc1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C18H24N2/c1-2-3-4-6-9-15-14-17(12-13-18(15)19)20-16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9,19H2,1H3
InChIKeySIDDWODJPPIHJQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.14
Rot. Bonds7

About 2-hexyl-4-N-phenylbenzene-1,4-diamine

2-hexyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 67108277) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-hexyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-hexyl-4-N-phenylbenzene-1,4-diamine
PubChem CID67108277
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-hexyl-4-N-phenylbenzene-1,4-diamine
SMILESCCCCCCc1cc(Nc2ccccc2)ccc1N
InChIInChI=1S/C18H24N2/c1-2-3-4-6-9-15-14-17(12-13-18(15)19)20-16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9,19H2,1H3
InChIKeySIDDWODJPPIHJQ-UHFFFAOYSA-N
XLogP5.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecylaniline
CID 22218918
nonane;N-phenylnaphthalen-2-amine
CID 159912384
octan-1-amine;N-phenylaniline
CID 68728866
2-pentyl-N-phenylaniline
CID 20516677
2-dodecyl-4-iodoaniline
CID 139793987
4-fluoro-2-heptylaniline
CID 67191637
2-butyl-4-phenylaniline
CID 24835781
4-anilino-3-octylphenol
CID 101298415
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
2,3-dihexadecyl-N-phenylaniline
CID 139699998
2-[(4-anilinoanilino)oxymethyl]-4-N-(4-methoxyphenyl)benzene-1,4-diamine
CID 19828299

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-hexyl-4-N-phenylbenzene-1,4-diamine (CID 67108277) is 2-hexyl-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-hexyl-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-hexyl-4-N-phenylbenzene-1,4-diamine is CCCCCCc1cc(Nc2ccccc2)ccc1N.
What is the InChIKey of 2-hexyl-4-N-phenylbenzene-1,4-diamine?
The InChIKey is SIDDWODJPPIHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-4-6-9-15-14-17(12-13-18(15)19)20-16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9,19H2,1H3.
What are the key properties of 2-hexyl-4-N-phenylbenzene-1,4-diamine?
2-hexyl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 67108277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).