cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine

C13H18ClN — CID 142165955

IUPACcis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-15(2)13-8-5-11(9-13)10-3-6-12(14)7-4-10/h3-4,6-7,11,13H,5,8-9H2,1-2H3/t11-,13+/m0/s1
InChIKeySVJRNBZFYWVINW-WCQYABFASA-N
MW223.75 g/mol
LogP3.54
Rot. Bonds2

About cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine

cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine (PubChem CID 142165955) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
PubChem CID142165955
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Namecis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN/c1-15(2)13-8-5-11(9-13)10-3-6-12(14)7-4-10/h3-4,6-7,11,13H,5,8-9H2,1-2H3/t11-,13+/m0/s1
InChIKeySVJRNBZFYWVINW-WCQYABFASA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(dimethylamino)cyclohexyl]aniline
CID 142146048
2-(4-chlorophenyl)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384197
N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128
3-(2,5-dichlorophenyl)-N,N-dimethylcyclohexan-1-amine
CID 139448349
1-[4-(4-chlorophenyl)-2-hydroxycyclohexyl]ethanone
CID 91060117
(2R,4aR,8aR)-2-(4-chlorophenyl)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809545
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
[(4S)-4-(4-chlorophenyl)-1-methylpiperidin-2-yl]methanol
CID 70192862
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
N,N-dimethyl-3-[3-(oxetan-3-yl)phenyl]cyclohexan-1-amine
CID 139448865

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine (CID 142165955) is cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine is CN(C)[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine?
The InChIKey is SVJRNBZFYWVINW-WCQYABFASA-N. The full InChI is InChI=1S/C13H18ClN/c1-15(2)13-8-5-11(9-13)10-3-6-12(14)7-4-10/h3-4,6-7,11,13H,5,8-9H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine?
cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-chlorophenyl)-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 142165955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).