(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine

C13H18ClNO — CID 82292642

IUPAC(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-8-6-12(16-2)11(14)7-10(8)13(15)9-4-3-5-9/h6-7,9,13H,3-5,15H2,1-2H3
InChIKeyWZCRTANSLYJMHC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.46
Rot. Bonds3

About (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine

(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine (PubChem CID 82292642) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
PubChem CID82292642
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCC2)cc1Cl
InChIInChI=1S/C13H18ClNO/c1-8-6-12(16-2)11(14)7-10(8)13(15)9-4-3-5-9/h6-7,9,13H,3-5,15H2,1-2H3
InChIKeyWZCRTANSLYJMHC-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82302431
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
CID 82299044
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
CID 82296043
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
(5-bromo-2-methoxy-4-methylphenyl)-cyclooctylmethanamine
CID 65440297
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine (CID 82292642) is (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine is COc1cc(C)c(C(N)C2CCC2)cc1Cl.
What is the InChIKey of (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
The InChIKey is WZCRTANSLYJMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-6-12(16-2)11(14)7-10(8)13(15)9-4-3-5-9/h6-7,9,13H,3-5,15H2,1-2H3.
What are the key properties of (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine?
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 82292642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).