1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one

C15H22ClNO — CID 55098471

IUPAC1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2,3)14(18)9-10-17(4)11-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3
InChIKeyFFYKXWIEHACHSO-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.78
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one

1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one (PubChem CID 55098471) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
PubChem CID55098471
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one
SMILESCN(CCC(=O)C(C)(C)C)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2,3)14(18)9-10-17(4)11-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3
InChIKeyFFYKXWIEHACHSO-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methylbutanoic acid
CID 62270705
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-N-methylpent-4-yn-1-amine
CID 115872604
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 63074911

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one (CID 55098471) is 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one is CN(CCC(=O)C(C)(C)C)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one?
The InChIKey is FFYKXWIEHACHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2,3)14(18)9-10-17(4)11-12-7-5-6-8-13(12)16/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one?
1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one has a molecular weight of 267.80 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylamino]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 55098471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).