[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol

C17H27NO — CID 62704125

IUPAC[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-8-10-17(12-19,11-9-15)18-16-6-4-14(3)5-7-16/h4-7,13,15,18-19H,8-12H2,1-3H3
InChIKeyLOGICVGDYZYZSK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.98
Rot. Bonds4

About [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol

[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol (PubChem CID 62704125) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
PubChem CID62704125
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol
SMILESCc1ccc(NC2(CO)CCC(C(C)C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-8-10-17(12-19,11-9-15)18-16-6-4-14(3)5-7-16/h4-7,13,15,18-19H,8-12H2,1-3H3
InChIKeyLOGICVGDYZYZSK-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-anilino-4-propan-2-ylcycloheptyl)methanol
CID 65090420
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
[3,4-dimethyl-1-(4-methylanilino)cyclohexyl]methanol
CID 64745873
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
N-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]aniline
CID 65379712
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 62525674
1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
(1-anilino-4-phenylcyclohexyl)methanol
CID 61046248
(1-anilino-4-tert-butylcycloheptyl)methanol
CID 65094624
[2-methyl-1-(4-methylanilino)cyclopentyl]methanol
CID 65049776
[1-(benzylamino)-4-propan-2-ylcycloheptyl]methanol
CID 65090266

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol?
The IUPAC name of [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol (CID 62704125) is [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol.
What is the SMILES notation for [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol?
The canonical SMILES for [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol is Cc1ccc(NC2(CO)CCC(C(C)C)CC2)cc1.
What is the InChIKey of [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol?
The InChIKey is LOGICVGDYZYZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-8-10-17(12-19,11-9-15)18-16-6-4-14(3)5-7-16/h4-7,13,15,18-19H,8-12H2,1-3H3.
What are the key properties of [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol?
[1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-4-propan-2-ylcyclohexyl]methanol is sourced from PubChem (CID 62704125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).