(4-dodecan-6-ylphenyl)methanamine

C19H33N — CID 130348260

IUPAC(4-dodecan-6-ylphenyl)methanamine
SMILESCCCCCCC(CCCCC)c1ccc(CN)cc1
InChIInChI=1S/C19H33N/c1-3-5-7-9-11-18(10-8-6-4-2)19-14-12-17(16-20)13-15-19/h12-15,18H,3-11,16,20H2,1-2H3
InChIKeyVXNLBCVVRAVQDF-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.78
Rot. Bonds11

About (4-dodecan-6-ylphenyl)methanamine

(4-dodecan-6-ylphenyl)methanamine (PubChem CID 130348260) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (4-dodecan-6-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-dodecan-6-ylphenyl)methanamine
PubChem CID130348260
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(4-dodecan-6-ylphenyl)methanamine
SMILESCCCCCCC(CCCCC)c1ccc(CN)cc1
InChIInChI=1S/C19H33N/c1-3-5-7-9-11-18(10-8-6-4-2)19-14-12-17(16-20)13-15-19/h12-15,18H,3-11,16,20H2,1-2H3
InChIKeyVXNLBCVVRAVQDF-UHFFFAOYSA-N
XLogP5.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-dodecan-6-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-undecan-4-ylbenzene
CID 14568440
4-hexadecan-7-ylphenol
CID 71320883
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
1-methyl-4-undecan-6-ylbenzene
CID 54207407
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
4-undecan-6-ylphenol
CID 66867197
2-phenylundecan-1-amine
CID 57256894
2-(4-heptacosan-9-ylphenyl)imidazol-2-ylium
CID 91107689
4-dodecan-6-ylbenzonitrile
CID 143747223
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
4-[1-[4-[2-[4-[1-(4-aminophenyl)tridecyl]phenyl]nonyl]phenyl]tridecyl]aniline
CID 22919819

Frequently Asked Questions

What is the IUPAC name of (4-dodecan-6-ylphenyl)methanamine?
The IUPAC name of (4-dodecan-6-ylphenyl)methanamine (CID 130348260) is (4-dodecan-6-ylphenyl)methanamine.
What is the SMILES notation for (4-dodecan-6-ylphenyl)methanamine?
The canonical SMILES for (4-dodecan-6-ylphenyl)methanamine is CCCCCCC(CCCCC)c1ccc(CN)cc1.
What is the InChIKey of (4-dodecan-6-ylphenyl)methanamine?
The InChIKey is VXNLBCVVRAVQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-9-11-18(10-8-6-4-2)19-14-12-17(16-20)13-15-19/h12-15,18H,3-11,16,20H2,1-2H3.
What are the key properties of (4-dodecan-6-ylphenyl)methanamine?
(4-dodecan-6-ylphenyl)methanamine has a molecular weight of 275.48 g/mol, XLogP of 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecan-6-ylphenyl)methanamine is sourced from PubChem (CID 130348260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).