[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol

C18H29NO — CID 63428303

IUPAC[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
SMILESCc1cccc(NC2(CO)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H29NO/c1-13(2)17-9-8-15(4)11-18(17,12-20)19-16-7-5-6-14(3)10-16/h5-7,10,13,15,17,19-20H,8-9,11-12H2,1-4H3
InChIKeyVDRCIOMYUIAZCC-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.23
Rot. Bonds4

About [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol

[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol (PubChem CID 63428303) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
PubChem CID63428303
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
SMILESCc1cccc(NC2(CO)CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H29NO/c1-13(2)17-9-8-15(4)11-18(17,12-20)19-16-7-5-6-14(3)10-16/h5-7,10,13,15,17,19-20H,8-9,11-12H2,1-4H3
InChIKeyVDRCIOMYUIAZCC-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
[2,4,4-trimethyl-1-(3-methylanilino)cyclopentyl]methanol
CID 106664005
[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
[5-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
2,5-dimethyl-1-(3-methylanilino)cyclohexane-1-carbonitrile
CID 64756564
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
[1-(2-methoxyethylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 62543978
3-methyl-1-(3-methylanilino)cyclobutane-1-carboxamide
CID 103563298
[1-(3-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735363
2-[5-methyl-1-(methylamino)-2-propan-2-ylcyclohexyl]acetic acid
CID 65236938
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol (CID 63428303) is [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol is Cc1cccc(NC2(CO)CC(C)CCC2C(C)C)c1.
What is the InChIKey of [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol?
The InChIKey is VDRCIOMYUIAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)17-9-8-15(4)11-18(17,12-20)19-16-7-5-6-14(3)10-16/h5-7,10,13,15,17,19-20H,8-9,11-12H2,1-4H3.
What are the key properties of [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol?
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 63428303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).