[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol

C18H26ClNO — CID 103965853

IUPAC[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCCC1
InChIInChI=1S/C18H26ClNO/c19-16-6-4-14(5-7-16)15-10-17(11-15)20-12-18(13-21)8-2-1-3-9-18/h4-7,15,17,20-21H,1-3,8-13H2
InChIKeyJJYJBQXVWQQABI-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.12
Rot. Bonds5

About [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol

[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol (PubChem CID 103965853) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
PubChem CID103965853
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCCC1
InChIInChI=1S/C18H26ClNO/c19-16-6-4-14(5-7-16)15-10-17(11-15)20-12-18(13-21)8-2-1-3-9-18/h4-7,15,17,20-21H,1-3,8-13H2
InChIKeyJJYJBQXVWQQABI-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentyl]methanol
CID 115358767
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
[1-[[(4-cyclopropylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965842
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
2-[1-[[[3-(4-bromophenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756149
[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
CID 115892903
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
[1-[[1-(4-chlorophenyl)butylamino]methyl]cyclohexyl]methanol
CID 103965824

Frequently Asked Questions

What is the IUPAC name of [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol (CID 103965853) is [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol is OCC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCCC1.
What is the InChIKey of [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is JJYJBQXVWQQABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-16-6-4-14(5-7-16)15-10-17(11-15)20-12-18(13-21)8-2-1-3-9-18/h4-7,15,17,20-21H,1-3,8-13H2.
What are the key properties of [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol?
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 307.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).