1-(2-bromophenyl)-N-propyloct-7-en-1-amine

C17H26BrN — CID 107008962

IUPAC1-(2-bromophenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-3-5-6-7-8-13-17(19-14-4-2)15-11-9-10-12-16(15)18/h3,9-12,17,19H,1,4-8,13-14H2,2H3
InChIKeyAZHWWWRFLRIUFF-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.63
Rot. Bonds10

About 1-(2-bromophenyl)-N-propyloct-7-en-1-amine

1-(2-bromophenyl)-N-propyloct-7-en-1-amine (PubChem CID 107008962) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-propyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-propyloct-7-en-1-amine
PubChem CID107008962
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name1-(2-bromophenyl)-N-propyloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccccc1Br
InChIInChI=1S/C17H26BrN/c1-3-5-6-7-8-13-17(19-14-4-2)15-11-9-10-12-16(15)18/h3,9-12,17,19H,1,4-8,13-14H2,2H3
InChIKeyAZHWWWRFLRIUFF-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(4-bromo-3-fluorophenyl)-N-propyloct-7-en-1-amine
CID 107011673
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(2,5-dibromophenyl)-N-ethyloct-7-en-1-amine
CID 107012011
1-(4-bromo-2,6-difluorophenyl)-N-propyloct-7-en-1-amine
CID 107011519
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-propyloct-7-en-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-propyloct-7-en-1-amine (CID 107008962) is 1-(2-bromophenyl)-N-propyloct-7-en-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-propyloct-7-en-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-propyloct-7-en-1-amine is C=CCCCCCC(NCCC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-propyloct-7-en-1-amine?
The InChIKey is AZHWWWRFLRIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-5-6-7-8-13-17(19-14-4-2)15-11-9-10-12-16(15)18/h3,9-12,17,19H,1,4-8,13-14H2,2H3.
What are the key properties of 1-(2-bromophenyl)-N-propyloct-7-en-1-amine?
1-(2-bromophenyl)-N-propyloct-7-en-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-propyloct-7-en-1-amine is sourced from PubChem (CID 107008962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).