[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol

C18H29NO2 — CID 107430208

IUPAC[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol
SMILESCOc1cccc(NC2(CO)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14(2)10-15-6-5-9-18(12-15,13-20)19-16-7-4-8-17(11-16)21-3/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-3H3
InChIKeySIOAZSMUDQVMDN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds6

About [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol

[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol (PubChem CID 107430208) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol
PubChem CID107430208
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol
SMILESCOc1cccc(NC2(CO)CCCC(CC(C)C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14(2)10-15-6-5-9-18(12-15,13-20)19-16-7-4-8-17(11-16)21-3/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-3H3
InChIKeySIOAZSMUDQVMDN-UHFFFAOYSA-N
XLogP4.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079
[1-(2-bromoanilino)-3-(2-methylpropyl)cyclohexyl]methanol
CID 107430203
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
1-[1-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 62520319
1-[1-(hydroxymethyl)cyclohexyl]-3-(3-methoxyphenyl)urea
CID 62521313
[3-cyclopropyl-1-(4-methoxyanilino)cyclohexyl]methanol
CID 64624867
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
[2-(3,3-difluorocyclohexyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 114225939
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65378995
1-(3-methoxyanilino)-3-methylcyclohexane-1-carbonitrile
CID 54887116
2-[(3,3-difluorocyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120762442

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The IUPAC name of [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol (CID 107430208) is [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The canonical SMILES for [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol is COc1cccc(NC2(CO)CCCC(CC(C)C)C2)c1.
What is the InChIKey of [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
The InChIKey is SIOAZSMUDQVMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)10-15-6-5-9-18(12-15,13-20)19-16-7-4-8-17(11-16)21-3/h4,7-8,11,14-15,19-20H,5-6,9-10,12-13H2,1-3H3.
What are the key properties of [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol?
[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol is sourced from PubChem (CID 107430208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).