1-(3-bromophenyl)tridecan-1-amine

C19H32BrN — CID 63412351

IUPAC1-(3-bromophenyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-10-11-15-19(21)17-13-12-14-18(20)16-17/h12-14,16,19H,2-11,15,21H2,1H3
InChIKeyFXSPXRQBNUUDGA-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.76
Rot. Bonds12

About 1-(3-bromophenyl)tridecan-1-amine

1-(3-bromophenyl)tridecan-1-amine (PubChem CID 63412351) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(3-bromophenyl)tridecan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)tridecan-1-amine
PubChem CID63412351
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name1-(3-bromophenyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-10-11-15-19(21)17-13-12-14-18(20)16-17/h12-14,16,19H,2-11,15,21H2,1H3
InChIKeyFXSPXRQBNUUDGA-UHFFFAOYSA-N
XLogP6.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.76
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-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-phenyldecan-1-amine
CID 43175860
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
1-(3-bromophenyl)-1-octan-2-yloxypropan-2-amine
CID 63459544
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-bromo-3-(1-bromoheptan-2-yl)benzene
CID 79433772
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)tridecan-1-amine?
The IUPAC name of 1-(3-bromophenyl)tridecan-1-amine (CID 63412351) is 1-(3-bromophenyl)tridecan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)tridecan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)tridecan-1-amine is CCCCCCCCCCCCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)tridecan-1-amine?
The InChIKey is FXSPXRQBNUUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-2-3-4-5-6-7-8-9-10-11-15-19(21)17-13-12-14-18(20)16-17/h12-14,16,19H,2-11,15,21H2,1H3.
What are the key properties of 1-(3-bromophenyl)tridecan-1-amine?
1-(3-bromophenyl)tridecan-1-amine has a molecular weight of 354.38 g/mol, XLogP of 6.76, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)tridecan-1-amine is sourced from PubChem (CID 63412351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).