(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol

C18H29NO — CID 99809997

IUPAC(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C)cc(CN[C@@](C)(CO)C2CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14-9-15(2)11-16(10-14)12-19-18(3,13-20)17-7-5-4-6-8-17/h9-11,17,19-20H,4-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyFXRGVRZHHBGGLY-SFHVURJKSA-N
MW275.44 g/mol
LogP3.72
Rot. Bonds5

About (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol

(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol (PubChem CID 99809997) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
PubChem CID99809997
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C)cc(CN[C@@](C)(CO)C2CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14-9-15(2)11-16(10-14)12-19-18(3,13-20)17-7-5-4-6-8-17/h9-11,17,19-20H,4-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyFXRGVRZHHBGGLY-SFHVURJKSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
CID 103700185
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
2-cyclopentyl-2-(propylamino)propan-1-ol
CID 64758093
2-cyclopropyl-2-(furan-3-ylmethylamino)propan-1-ol
CID 115685163
2-cyclopentyl-2-(2-methylpropylamino)propan-1-ol
CID 64757889
(2R)-2-cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 96740613
2-cyclohexyl-2-(cyclopentylamino)propan-1-ol
CID 64758710
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
2-cyclopropyl-2-[(2,3-dimethylphenyl)methylamino]propan-1-ol
CID 111977080
(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
CID 95635544

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol (CID 99809997) is (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol is Cc1cc(C)cc(CN[C@@](C)(CO)C2CCCCC2)c1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol?
The InChIKey is FXRGVRZHHBGGLY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-9-15(2)11-16(10-14)12-19-18(3,13-20)17-7-5-4-6-8-17/h9-11,17,19-20H,4-8,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol?
(2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(3,5-dimethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 99809997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).