N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine

C15H22ClN — CID 107561131

IUPACN-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-3-8-17-10-13-6-7-14(13)12-5-4-11(2)15(16)9-12/h4-5,9,13-14,17H,3,6-8,10H2,1-2H3
InChIKeyRGSWCKCJZVKSSO-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.14
Rot. Bonds5

About N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine

N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine (PubChem CID 107561131) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
PubChem CID107561131
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H22ClN/c1-3-8-17-10-13-6-7-14(13)12-5-4-11(2)15(16)9-12/h4-5,9,13-14,17H,3,6-8,10H2,1-2H3
InChIKeyRGSWCKCJZVKSSO-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-chloro-4-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 107561181
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
[2-(3-chloro-4-methylphenyl)cyclopentyl]methanamine
CID 107561109
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81032114
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
2-(3-chloro-4-methylphenyl)cyclopentan-1-amine
CID 103852573
N-[[2-(2-methoxypyrimidin-5-yl)cyclobutyl]methyl]propan-1-amine
CID 112747638
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine (CID 107561131) is N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is RGSWCKCJZVKSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-8-17-10-13-6-7-14(13)12-5-4-11(2)15(16)9-12/h4-5,9,13-14,17H,3,6-8,10H2,1-2H3.
What are the key properties of N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 107561131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).