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

C15H24ClN — CID 62914731

IUPAC3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H24ClN/c1-5-17-12(4)14(11(2)3)10-13-8-6-7-9-15(13)16/h6-9,11-12,14,17H,5,10H2,1-4H3
InChIKeyQSVMKKHVEAUJTM-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.15
Rot. Bonds6

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

3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 62914731) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
PubChem CID62914731
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H24ClN/c1-5-17-12(4)14(11(2)3)10-13-8-6-7-9-15(13)16/h6-9,11-12,14,17H,5,10H2,1-4H3
InChIKeyQSVMKKHVEAUJTM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
1-chloro-2-(2,3-dimethylbutyl)benzene
CID 123440272
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
N-ethyl-4-methyl-3-[(2-methyl-3-nitrophenyl)methyl]pentan-2-amine
CID 62915828
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (CID 62914731) is 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(Cc1ccccc1Cl)C(C)C.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is QSVMKKHVEAUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-17-12(4)14(11(2)3)10-13-8-6-7-9-15(13)16/h6-9,11-12,14,17H,5,10H2,1-4H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 62914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).