1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine

C16H24ClNO2 — CID 103741168

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(OC)c(OC)c2Cl)CCC1
InChIInChI=1S/C16H24ClNO2/c1-4-16(8-5-9-16)11-18-10-12-6-7-13(19-2)15(20-3)14(12)17/h6-7,18H,4-5,8-11H2,1-3H3
InChIKeyLWJYQTFLVGFOCK-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.03
Rot. Bonds7

About 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine

1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine (PubChem CID 103741168) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
PubChem CID103741168
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(OC)c(OC)c2Cl)CCC1
InChIInChI=1S/C16H24ClNO2/c1-4-16(8-5-9-16)11-18-10-12-6-7-13(19-2)15(20-3)14(12)17/h6-7,18H,4-5,8-11H2,1-3H3
InChIKeyLWJYQTFLVGFOCK-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63625363
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664419
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine (CID 103741168) is 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine is CCC1(CNCc2ccc(OC)c(OC)c2Cl)CCC1.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
The InChIKey is LWJYQTFLVGFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-16(8-5-9-16)11-18-10-12-6-7-13(19-2)15(20-3)14(12)17/h6-7,18H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine?
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine has a molecular weight of 297.83 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 103741168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).