1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol

C18H26ClNO — CID 65117012

IUPAC1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C18H26ClNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3
InChIKeyKUEMWSROMIZDRZ-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.12
Rot. Bonds4

About 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol

1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65117012) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65117012
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC(c3cccc(Cl)c3)C2)C1
InChIInChI=1S/C18H26ClNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3
InChIKeyKUEMWSROMIZDRZ-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[3-(3-bromophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65117005
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
1-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-methylpropan-2-ol
CID 65103831
3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116922
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65117559
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635314
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
4-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65121452
tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
CID 103759654

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol (CID 65117012) is 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNC2CC(c3cccc(Cl)c3)C2)C1.
What is the InChIKey of 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is KUEMWSROMIZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-13-4-3-7-18(21,11-13)12-20-17-9-15(10-17)14-5-2-6-16(19)8-14/h2,5-6,8,13,15,17,20-21H,3-4,7,9-12H2,1H3.
What are the key properties of 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol?
1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 307.86 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).