[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine

C16H24ClN — CID 117418946

IUPAC[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CCC2)cc1Cl
InChIInChI=1S/C16H24ClN/c1-3-12(4-2)14-7-6-13(10-15(14)17)16(11-18)8-5-9-16/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3
InChIKeyFAHHWRKVIRBZDQ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.62
Rot. Bonds5

About [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine

[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine (PubChem CID 117418946) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
PubChem CID117418946
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CCC2)cc1Cl
InChIInChI=1S/C16H24ClN/c1-3-12(4-2)14-7-6-13(10-15(14)17)16(11-18)8-5-9-16/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3
InChIKeyFAHHWRKVIRBZDQ-UHFFFAOYSA-N
XLogP4.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
[1-(3-chloro-4-ethoxyphenyl)cyclopentyl]methanamine
CID 82499574
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione
CID 176710202
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine (CID 117418946) is [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine is CCC(CC)c1ccc(C2(CN)CCC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine?
The InChIKey is FAHHWRKVIRBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-12(4-2)14-7-6-13(10-15(14)17)16(11-18)8-5-9-16/h6-7,10,12H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine?
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine has a molecular weight of 265.83 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117418946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).