trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol

C14H20ClNO — CID 93419082

IUPACtrans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@H](N[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(11-5-4-6-12(15)9-11)16-13-7-2-3-8-14(13)17/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3/t10-,13-,14-/m0/s1
InChIKeyPMLPPGKVXNLQRQ-BPNCWPANSA-N
MW253.77 g/mol
LogP3.29
Rot. Bonds3

About trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol (PubChem CID 93419082) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
PubChem CID93419082
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Nametrans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
SMILESC[C@H](N[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-10(11-5-4-6-12(15)9-11)16-13-7-2-3-8-14(13)17/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3/t10-,13-,14-/m0/s1
InChIKeyPMLPPGKVXNLQRQ-BPNCWPANSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81352447
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cycloheptan-1-ol
CID 81352634
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol (CID 93419082) is trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol is C[C@H](N[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
The InChIKey is PMLPPGKVXNLQRQ-BPNCWPANSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(11-5-4-6-12(15)9-11)16-13-7-2-3-8-14(13)17/h4-6,9-10,13-14,16-17H,2-3,7-8H2,1H3/t10-,13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 93419082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).