2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one

C16H22ClNO — CID 62612570

IUPAC2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
SMILESCN(Cc1ccccc1Cl)CC1CCCCCC1=O
InChIInChI=1S/C16H22ClNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14H,2-4,8,10-12H2,1H3
InChIKeyWLKKTGBSNLQJIB-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.92
Rot. Bonds4

About 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one

2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one (PubChem CID 62612570) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
PubChem CID62612570
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
SMILESCN(Cc1ccccc1Cl)CC1CCCCCC1=O
InChIInChI=1S/C16H22ClNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14H,2-4,8,10-12H2,1H3
InChIKeyWLKKTGBSNLQJIB-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62616864
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
2-[[2-(dimethylamino)ethyl-methylamino]methyl]cyclohexan-1-one
CID 63701207
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cycloheptan-1-one
CID 63864349
2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
CID 62613008

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one?
The IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one (CID 62612570) is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one?
The canonical SMILES for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one is CN(Cc1ccccc1Cl)CC1CCCCCC1=O.
What is the InChIKey of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one?
The InChIKey is WLKKTGBSNLQJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-18(11-13-7-5-6-9-15(13)17)12-14-8-3-2-4-10-16(14)19/h5-7,9,14H,2-4,8,10-12H2,1H3.
What are the key properties of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one?
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one has a molecular weight of 279.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one is sourced from PubChem (CID 62612570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).