trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol

C15H24N2O — CID 102731527

IUPACtrans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
SMILESCc1ccc(N[C@H]2CCCC[C@@H]2O)cc1N(C)C
InChIInChI=1S/C15H24N2O/c1-11-8-9-12(10-14(11)17(2)3)16-13-6-4-5-7-15(13)18/h8-10,13,15-16,18H,4-7H2,1-3H3/t13-,15-/m0/s1
InChIKeyCENRZGCQWWNOJR-ZFWWWQNUSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds3

About trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol

trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol (PubChem CID 102731527) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
PubChem CID102731527
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nametrans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
SMILESCc1ccc(N[C@H]2CCCC[C@@H]2O)cc1N(C)C
InChIInChI=1S/C15H24N2O/c1-11-8-9-12(10-14(11)17(2)3)16-13-6-4-5-7-15(13)18/h8-10,13,15-16,18H,4-7H2,1-3H3/t13-,15-/m0/s1
InChIKeyCENRZGCQWWNOJR-ZFWWWQNUSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
trans-(1S,2S)-2-[2-(dimethylamino)anilino]cyclohexan-1-ol
CID 106759729
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
1-cyclopentyl-3-[3-(dimethylamino)-4-methylphenyl]urea
CID 116656999
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol (CID 102731527) is trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol is Cc1ccc(N[C@H]2CCCC[C@@H]2O)cc1N(C)C.
What is the InChIKey of trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol?
The InChIKey is CENRZGCQWWNOJR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-9-12(10-14(11)17(2)3)16-13-6-4-5-7-15(13)18/h8-10,13,15-16,18H,4-7H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol?
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102731527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).