1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine

C15H22ClNO — CID 107562011

IUPAC1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-3-18-13-6-11(7-13)8-15(17)12-5-4-10(2)14(16)9-12/h4-5,9,11,13,15H,3,6-8,17H2,1-2H3
InChIKeyVZNJRZPTMQQFCZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.85
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine

1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine (PubChem CID 107562011) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
PubChem CID107562011
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
SMILESCCOC1CC(CC(N)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-3-18-13-6-11(7-13)8-15(17)12-5-4-10(2)14(16)9-12/h4-5,9,11,13,15H,3,6-8,17H2,1-2H3
InChIKeyVZNJRZPTMQQFCZ-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 103163178
2-(3-ethoxycyclobutyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103168825
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
2-(3-ethoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103169245
2-(3-ethoxycyclobutyl)-1-quinolin-6-ylethanamine
CID 103169273
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103168436
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine (CID 107562011) is 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine is CCOC1CC(CC(N)c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
The InChIKey is VZNJRZPTMQQFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-18-13-6-11(7-13)8-15(17)12-5-4-10(2)14(16)9-12/h4-5,9,11,13,15H,3,6-8,17H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine?
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine is sourced from PubChem (CID 107562011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).