1-(3-bromophenyl)-N-propyldecan-1-amine

C19H32BrN — CID 63413098

IUPAC1-(3-bromophenyl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-14-19(21-15-4-2)17-12-11-13-18(20)16-17/h11-13,16,19,21H,3-10,14-15H2,1-2H3
InChIKeyFWRZMEJHMMMMCF-UHFFFAOYSA-N
MW354.38 g/mol
LogP6.63
Rot. Bonds12

About 1-(3-bromophenyl)-N-propyldecan-1-amine

1-(3-bromophenyl)-N-propyldecan-1-amine (PubChem CID 63413098) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-propyldecan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-propyldecan-1-amine
PubChem CID63413098
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name1-(3-bromophenyl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-14-19(21-15-4-2)17-12-11-13-18(20)16-17/h11-13,16,19,21H,3-10,14-15H2,1-2H3
InChIKeyFWRZMEJHMMMMCF-UHFFFAOYSA-N
XLogP6.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 56.63
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-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
1-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
1-(3-bromophenyl)-N-propylbut-3-yn-1-amine
CID 62235331
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-propyldecan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-propyldecan-1-amine (CID 63413098) is 1-(3-bromophenyl)-N-propyldecan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-propyldecan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-propyldecan-1-amine is CCCCCCCCCC(NCCC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-propyldecan-1-amine?
The InChIKey is FWRZMEJHMMMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-3-5-6-7-8-9-10-14-19(21-15-4-2)17-12-11-13-18(20)16-17/h11-13,16,19,21H,3-10,14-15H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-propyldecan-1-amine?
1-(3-bromophenyl)-N-propyldecan-1-amine has a molecular weight of 354.38 g/mol, XLogP of 6.63, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-propyldecan-1-amine is sourced from PubChem (CID 63413098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).