3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine

C15H23BrClN — CID 113471085

IUPAC3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C15H23BrClN/c1-5-18-11(4)14(10(2)3)8-12-6-7-13(16)9-15(12)17/h6-7,9-11,14,18H,5,8H2,1-4H3
InChIKeyVSZFTISHLVQLMA-UHFFFAOYSA-N
MW332.71 g/mol
LogP4.92
Rot. Bonds6

About 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine

3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 113471085) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
PubChem CID113471085
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C15H23BrClN/c1-5-18-11(4)14(10(2)3)8-12-6-7-13(16)9-15(12)17/h6-7,9-11,14,18H,5,8H2,1-4H3
InChIKeyVSZFTISHLVQLMA-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
(2S)-N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-2-amine
CID 97357838
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113471311
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029350
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503761
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
CID 105037951
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (CID 113471085) is 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(Cc1ccc(Br)cc1Cl)C(C)C.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is VSZFTISHLVQLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-5-18-11(4)14(10(2)3)8-12-6-7-13(16)9-15(12)17/h6-7,9-11,14,18H,5,8H2,1-4H3.
What are the key properties of 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 332.71 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 113471085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).