13-phenyltridecan-1-amine

C19H33N — CID 19801439

IUPAC13-phenyltridecan-1-amine
SMILESNCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C19H33N/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h10,12-13,16-17H,1-9,11,14-15,18,20H2
InChIKeyKQHPYZCEADBXFB-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.48
Rot. Bonds13

About 13-phenyltridecan-1-amine

13-phenyltridecan-1-amine (PubChem CID 19801439) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 13-phenyltridecan-1-amine.

Molecular Properties

Compound Name13-phenyltridecan-1-amine
PubChem CID19801439
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name13-phenyltridecan-1-amine
SMILESNCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C19H33N/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h10,12-13,16-17H,1-9,11,14-15,18,20H2
InChIKeyKQHPYZCEADBXFB-UHFFFAOYSA-N
XLogP5.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.48
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

4-phenylbutan-1-amine;hydrochloride
CID 44630065
benzene;3-phenylpropan-1-amine
CID 174865683
butan-1-amine;dodecylbenzene
CID 158824240
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-phenylbutylbenzene
CID 141301927
3-phenylpropan-1-amine;propane
CID 70273467
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
7-phenylheptane-1,4-diamine
CID 174860311
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
4-(3-phenylphenyl)butan-1-amine
CID 117324209
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690

Frequently Asked Questions

What is the IUPAC name of 13-phenyltridecan-1-amine?
The IUPAC name of 13-phenyltridecan-1-amine (CID 19801439) is 13-phenyltridecan-1-amine.
What is the SMILES notation for 13-phenyltridecan-1-amine?
The canonical SMILES for 13-phenyltridecan-1-amine is NCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 13-phenyltridecan-1-amine?
The InChIKey is KQHPYZCEADBXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c20-18-14-9-7-5-3-1-2-4-6-8-11-15-19-16-12-10-13-17-19/h10,12-13,16-17H,1-9,11,14-15,18,20H2.
What are the key properties of 13-phenyltridecan-1-amine?
13-phenyltridecan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.48, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyltridecan-1-amine is sourced from PubChem (CID 19801439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).