1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine

C15H22ClNO — CID 116963630

IUPAC1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2c(OC)cc(C)c(Cl)c2C)CCC1
InChIInChI=1S/C15H22ClNO/c1-10-8-12(18-4)13(11(2)14(10)16)15(9-17-3)6-5-7-15/h8,17H,5-7,9H2,1-4H3
InChIKeyBSEFVUAAZHEQIH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.61
Rot. Bonds4

About 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine

1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 116963630) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID116963630
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2c(OC)cc(C)c(Cl)c2C)CCC1
InChIInChI=1S/C15H22ClNO/c1-10-8-12(18-4)13(11(2)14(10)16)15(9-17-3)6-5-7-15/h8,17H,5-7,9H2,1-4H3
InChIKeyBSEFVUAAZHEQIH-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929209
N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519518
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
(5-chloro-4-methoxy-2-methylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943544
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine (CID 116963630) is 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine is CNCC1(c2c(OC)cc(C)c(Cl)c2C)CCC1.
What is the InChIKey of 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is BSEFVUAAZHEQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-8-12(18-4)13(11(2)14(10)16)15(9-17-3)6-5-7-15/h8,17H,5-7,9H2,1-4H3.
What are the key properties of 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine?
1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 267.80 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).