2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine

C14H21BrClN — CID 113471443

IUPAC2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyOKHXDIZNSMTBQY-UHFFFAOYSA-N
MW318.69 g/mol
LogP4.67
Rot. Bonds7

About 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine

2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine (PubChem CID 113471443) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
PubChem CID113471443
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3
InChIKeyOKHXDIZNSMTBQY-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105335234
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 79708937
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
1-(4-bromo-2-chlorophenyl)octan-2-ylhydrazine
CID 105335285

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine (CID 113471443) is 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine is CCCC(CNCC)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine?
The InChIKey is OKHXDIZNSMTBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-3-5-11(10-17-4-2)8-12-6-7-13(15)9-14(12)16/h6-7,9,11,17H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine?
2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine has a molecular weight of 318.69 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 113471443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).