2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine

C13H19BrFN — CID 79708448

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
SMILESCCNCC(CC)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-3-10(9-16-4-2)5-11-6-12(14)8-13(15)7-11/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyUKGMMDNZOLKKGR-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.77
Rot. Bonds6

About 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine

2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine (PubChem CID 79708448) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
PubChem CID79708448
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine
SMILESCCNCC(CC)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C13H19BrFN/c1-3-10(9-16-4-2)5-11-6-12(14)8-13(15)7-11/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyUKGMMDNZOLKKGR-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-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-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 79708447
2-[(3-bromo-5-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 79708857
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
4-(3-bromo-5-fluorophenyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017251
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
2-(3-bromo-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)-N-ethylethanamine
CID 105169361
N-[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 79708694
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine (CID 79708448) is 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine is CCNCC(CC)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The InChIKey is UKGMMDNZOLKKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-10(9-16-4-2)5-11-6-12(14)8-13(15)7-11/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine?
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 79708448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).