2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine

C19H32BrN — CID 63522817

IUPAC2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
SMILESCCCCC(CC)CC(CNCC)Cc1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-4-7-9-16(5-2)12-18(15-21-6-3)13-17-10-8-11-19(20)14-17/h8,10-11,14,16,18,21H,4-7,9,12-13,15H2,1-3H3
InChIKeyHKJFETOJDZFTIC-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.82
Rot. Bonds11

About 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine

2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine (PubChem CID 63522817) has the molecular formula C19H32BrN and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
PubChem CID63522817
Molecular FormulaC19H32BrN
Molecular Weight354.38 g/mol
Exact Mass353.17
IUPAC Name2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
SMILESCCCCC(CC)CC(CNCC)Cc1cccc(Br)c1
InChIInChI=1S/C19H32BrN/c1-4-7-9-16(5-2)12-18(15-21-6-3)13-17-10-8-11-19(20)14-17/h8,10-11,14,16,18,21H,4-7,9,12-13,15H2,1-3H3
InChIKeyHKJFETOJDZFTIC-UHFFFAOYSA-N
XLogP5.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-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

2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
CID 63196166
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
2-[(3-bromophenyl)methyl]-N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62514915
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617658
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine (CID 63522817) is 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine is CCCCC(CC)CC(CNCC)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine?
The InChIKey is HKJFETOJDZFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN/c1-4-7-9-16(5-2)12-18(15-21-6-3)13-17-10-8-11-19(20)14-17/h8,10-11,14,16,18,21H,4-7,9,12-13,15H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine?
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine has a molecular weight of 354.38 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine is sourced from PubChem (CID 63522817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).