1-phenyldecan-1-amine

C16H27N — CID 43175860

IUPAC1-phenyldecan-1-amine
SMILESCCCCCCCCCC(N)c1ccccc1
InChIInChI=1S/C16H27N/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14,17H2,1H3
InChIKeyBDJDLXLECSMEFA-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.83
Rot. Bonds9

About 1-phenyldecan-1-amine

1-phenyldecan-1-amine (PubChem CID 43175860) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-phenyldecan-1-amine.

Molecular Properties

Compound Name1-phenyldecan-1-amine
PubChem CID43175860
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-phenyldecan-1-amine
SMILESCCCCCCCCCC(N)c1ccccc1
InChIInChI=1S/C16H27N/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14,17H2,1H3
InChIKeyBDJDLXLECSMEFA-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.83
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-phenylheptadecan-1-amine;hydrobromide
CID 20538047
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenylhexan-1-amine;hydrochloride
CID 3033249
N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
3-methyl-1-phenylundecan-1-amine
CID 174237329
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
4-(1-aminooctyl)aniline
CID 137458153
4-butoxy-1-phenylbutan-1-amine
CID 61483795
1-(4-iodophenyl)heptan-1-amine
CID 115833109
1-pyridin-4-ylnonan-1-amine
CID 62600271
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-(1-aminododecyl)phenol
CID 174770403

Frequently Asked Questions

What is the IUPAC name of 1-phenyldecan-1-amine?
The IUPAC name of 1-phenyldecan-1-amine (CID 43175860) is 1-phenyldecan-1-amine.
What is the SMILES notation for 1-phenyldecan-1-amine?
The canonical SMILES for 1-phenyldecan-1-amine is CCCCCCCCCC(N)c1ccccc1.
What is the InChIKey of 1-phenyldecan-1-amine?
The InChIKey is BDJDLXLECSMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14,17H2,1H3.
What are the key properties of 1-phenyldecan-1-amine?
1-phenyldecan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldecan-1-amine is sourced from PubChem (CID 43175860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).