trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine

C15H23ClN2 — CID 11737219

IUPACtrans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)[C@@H](c1ccccc1Cl)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H23ClN2/c1-18(2)15(11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15H,4,6,8,10,17H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyIZRDGXDGKSGECO-YUELXQCFSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds3

About trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine

trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine (PubChem CID 11737219) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
PubChem CID11737219
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Nametrans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)[C@@H](c1ccccc1Cl)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H23ClN2/c1-18(2)15(11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15H,4,6,8,10,17H2,1-2H3/t12-,14-,15+/m1/s1
InChIKeyIZRDGXDGKSGECO-YUELXQCFSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide
CID 10110864
N-[2-[(2-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]-2-fluorobenzamide;hydrochloride
CID 21110207
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
1-(2-chlorophenyl)-N-cyclohexyl-N-methylethane-1,2-diamine
CID 43180386
trans-(1S,2R)-2-[1-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
CID 70378333
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine
CID 58098336
2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
CID 63115096
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine (CID 11737219) is trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine is CN(C)[C@@H](c1ccccc1Cl)[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine?
The InChIKey is IZRDGXDGKSGECO-YUELXQCFSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(2)15(11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h3,5,7,9,12,14-15H,4,6,8,10,17H2,1-2H3/t12-,14-,15+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine?
trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 11737219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).