(3,5-dihexylphenyl)methanamine

C19H33N — CID 174558763

IUPAC(3,5-dihexylphenyl)methanamine
SMILESCCCCCCc1cc(CN)cc(CCCCCC)c1
InChIInChI=1S/C19H33N/c1-3-5-7-9-11-17-13-18(12-10-8-6-4-2)15-19(14-17)16-20/h13-15H,3-12,16,20H2,1-2H3
InChIKeyIYGCTHRPCCSADK-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.39
Rot. Bonds11

About (3,5-dihexylphenyl)methanamine

(3,5-dihexylphenyl)methanamine (PubChem CID 174558763) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (3,5-dihexylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dihexylphenyl)methanamine
PubChem CID174558763
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(3,5-dihexylphenyl)methanamine
SMILESCCCCCCc1cc(CN)cc(CCCCCC)c1
InChIInChI=1S/C19H33N/c1-3-5-7-9-11-17-13-18(12-10-8-6-4-2)15-19(14-17)16-20/h13-15H,3-12,16,20H2,1-2H3
InChIKeyIYGCTHRPCCSADK-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
5-decylbenzene-1,3-diamine
CID 134222532
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
1,3-di(tetradecyl)benzene
CID 91053224
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900

Frequently Asked Questions

What is the IUPAC name of (3,5-dihexylphenyl)methanamine?
The IUPAC name of (3,5-dihexylphenyl)methanamine (CID 174558763) is (3,5-dihexylphenyl)methanamine.
What is the SMILES notation for (3,5-dihexylphenyl)methanamine?
The canonical SMILES for (3,5-dihexylphenyl)methanamine is CCCCCCc1cc(CN)cc(CCCCCC)c1.
What is the InChIKey of (3,5-dihexylphenyl)methanamine?
The InChIKey is IYGCTHRPCCSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-9-11-17-13-18(12-10-8-6-4-2)15-19(14-17)16-20/h13-15H,3-12,16,20H2,1-2H3.
What are the key properties of (3,5-dihexylphenyl)methanamine?
(3,5-dihexylphenyl)methanamine has a molecular weight of 275.48 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihexylphenyl)methanamine is sourced from PubChem (CID 174558763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).