1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine

C18H30BrN — CID 63415307

IUPAC1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-4-7-10-15(6-3)14-18(20-13-5-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,4-7,10,13-14H2,1-3H3
InChIKeyIXAPIMIFXQSULK-UHFFFAOYSA-N
MW340.35 g/mol
LogP6.10
Rot. Bonds10

About 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine

1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine (PubChem CID 63415307) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
PubChem CID63415307
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccccc1Br
InChIInChI=1S/C18H30BrN/c1-4-7-10-15(6-3)14-18(20-13-5-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,4-7,10,13-14H2,1-3H3
InChIKeyIXAPIMIFXQSULK-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-bromophenyl)-3-ethylheptyl]hydrazine
CID 105208587
1-(2-bromo-5-methylphenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806096
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
CID 63416317
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine (CID 63415307) is 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine?
The InChIKey is IXAPIMIFXQSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-4-7-10-15(6-3)14-18(20-13-5-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,4-7,10,13-14H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine?
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 6.10, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine is sourced from PubChem (CID 63415307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).