1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol

C16H22ClNO — CID 65107309

IUPAC1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C16H22ClNO/c17-14-5-3-12(4-6-14)13-9-15(10-13)18-11-16(19)7-1-2-8-16/h3-6,13,15,18-19H,1-2,7-11H2
InChIKeyMCILAJVHLUYWHT-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.48
Rot. Bonds4

About 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol

1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65107309) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
PubChem CID65107309
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCC1
InChIInChI=1S/C16H22ClNO/c17-14-5-3-12(4-6-14)13-9-15(10-13)18-11-16(19)7-1-2-8-16/h3-6,13,15,18-19H,1-2,7-11H2
InChIKeyMCILAJVHLUYWHT-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentyl]methanol
CID 115358767
1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 113384067
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
CID 103965853
4-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130345
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
1-[[[3-(3-chlorophenyl)cyclobutyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65117012
4-ethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclohexan-1-ol
CID 65116260
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65117559
3-(4-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63822564
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol (CID 65107309) is 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol is OC1(CNC2CC(c3ccc(Cl)cc3)C2)CCCC1.
What is the InChIKey of 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MCILAJVHLUYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-5-3-12(4-6-14)13-9-15(10-13)18-11-16(19)7-1-2-8-16/h3-6,13,15,18-19H,1-2,7-11H2.
What are the key properties of 1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol?
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 3.48, 4 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]cyclopentan-1-ol is sourced from PubChem (CID 65107309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).