3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine

C18H21Br2N — CID 63523539

IUPAC3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)Cc1cccc(Br)c1
InChIInChI=1S/C18H21Br2N/c1-2-21-13-16(9-14-5-3-7-17(19)11-14)10-15-6-4-8-18(20)12-15/h3-8,11-12,16,21H,2,9-10,13H2,1H3
InChIKeyDFSAKPZNORMJLF-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.22
Rot. Bonds7

About 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine

3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine (PubChem CID 63523539) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
PubChem CID63523539
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cccc(Br)c1)Cc1cccc(Br)c1
InChIInChI=1S/C18H21Br2N/c1-2-21-13-16(9-14-5-3-7-17(19)11-14)10-15-6-4-8-18(20)12-15/h3-8,11-12,16,21H,2,9-10,13H2,1H3
InChIKeyDFSAKPZNORMJLF-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-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
2-[(3-bromophenyl)methyl]-N-ethyl-4-propan-2-yloxybutan-1-amine
CID 62514915
2-[(3-bromophenyl)methyl]-N,4-diethyloctan-1-amine
CID 63522817
2-[(3-bromophenyl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 62528161
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
2-[(3-bromophenyl)methyl]-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617658
2-[(3-bromophenyl)methyl]-N-ethyl-5-methylsulfonylpentan-1-amine
CID 63196166
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79561949
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine (CID 63523539) is 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine is CCNCC(Cc1cccc(Br)c1)Cc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine?
The InChIKey is DFSAKPZNORMJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-2-21-13-16(9-14-5-3-7-17(19)11-14)10-15-6-4-8-18(20)12-15/h3-8,11-12,16,21H,2,9-10,13H2,1H3.
What are the key properties of 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine?
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine has a molecular weight of 411.18 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63523539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).