2-(2-bromophenyl)-N-propylheptan-1-amine

C16H26BrN — CID 79449289

IUPAC2-(2-bromophenyl)-N-propylheptan-1-amine
SMILESCCCCCC(CNCCC)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-12-4-2)15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3
InChIKeyCWCKACAIDFFZEH-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.11
Rot. Bonds9

About 2-(2-bromophenyl)-N-propylheptan-1-amine

2-(2-bromophenyl)-N-propylheptan-1-amine (PubChem CID 79449289) has the molecular formula C16H26BrN and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-propylheptan-1-amine
PubChem CID79449289
Molecular FormulaC16H26BrN
Molecular Weight312.29 g/mol
Exact Mass311.12
IUPAC Name2-(2-bromophenyl)-N-propylheptan-1-amine
SMILESCCCCCC(CNCCC)c1ccccc1Br
InChIInChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-12-4-2)15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3
InChIKeyCWCKACAIDFFZEH-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.11
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

2-(2-bromophenyl)-6-methyl-N-propylheptan-1-amine
CID 83168332
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-bromophenyl)-5-ethoxy-N-propylpentan-1-amine
CID 79449363
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(2-bromophenyl)-3-methyl-N-propylhexan-1-amine
CID 114012929
1-bromo-2-heptan-2-ylbenzene
CID 59216916
2-(2-bromophenyl)-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 79436436
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
N-[2-(2-bromophenyl)-2-(2-methylpropoxy)ethyl]propan-1-amine
CID 55036763

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-propylheptan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-N-propylheptan-1-amine (CID 79449289) is 2-(2-bromophenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-propylheptan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-propylheptan-1-amine is CCCCCC(CNCCC)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-propylheptan-1-amine?
The InChIKey is CWCKACAIDFFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN/c1-3-5-6-9-14(13-18-12-4-2)15-10-7-8-11-16(15)17/h7-8,10-11,14,18H,3-6,9,12-13H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-propylheptan-1-amine?
2-(2-bromophenyl)-N-propylheptan-1-amine has a molecular weight of 312.29 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 79449289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).