[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine

C12H16ClNO — CID 84790715

IUPAC[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-5-9(12(7-14)3-4-12)6-10(13)11(8)15-2/h5-6H,3-4,7,14H2,1-2H3
InChIKeyWWOKJADBNOTFCU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.65
Rot. Bonds3

About [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine

[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine (PubChem CID 84790715) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
PubChem CID84790715
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
SMILESCOc1c(C)cc(C2(CN)CC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-5-9(12(7-14)3-4-12)6-10(13)11(8)15-2/h5-6H,3-4,7,14H2,1-2H3
InChIKeyWWOKJADBNOTFCU-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 117372025
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-tert-butyl-4-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117408710
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
[1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentyl]methanamine
CID 117474122
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine (CID 84790715) is [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine is COc1c(C)cc(C2(CN)CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
The InChIKey is WWOKJADBNOTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-5-9(12(7-14)3-4-12)6-10(13)11(8)15-2/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine?
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 84790715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).