N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine

C14H20ClNO — CID 81017506

IUPACN-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO/c1-3-16-9-11-4-6-12(11)10-5-7-13(15)14(8-10)17-2/h5,7-8,11-12,16H,3-4,6,9H2,1-2H3
InChIKeyRPZOHQXBLWQBHM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.45
Rot. Bonds5

About N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine

N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine (PubChem CID 81017506) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
PubChem CID81017506
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO/c1-3-16-9-11-4-6-12(11)10-5-7-13(15)14(8-10)17-2/h5,7-8,11-12,16H,3-4,6,9H2,1-2H3
InChIKeyRPZOHQXBLWQBHM-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
3-(4-chloro-3-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 79697517
N-[[2-(3,4-dichlorophenyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81034507
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
N-[[2-(3-chloro-4-methylphenyl)cyclobutyl]methyl]propan-1-amine
CID 107561131
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
CID 81018227
N-[[(1R,2R)-2-(4-chloro-3-methoxyphenyl)cyclopropyl]methyl]butanamide
CID 18659979
2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 81014545
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine (CID 81017506) is N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1c1ccc(Cl)c(OC)c1.
What is the InChIKey of N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine?
The InChIKey is RPZOHQXBLWQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16-9-11-4-6-12(11)10-5-7-13(15)14(8-10)17-2/h5,7-8,11-12,16H,3-4,6,9H2,1-2H3.
What are the key properties of N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine?
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).