1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine

C12H16ClNO — CID 117324499

IUPAC1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-8-3-4-9(7-12(14)5-6-12)11(15-2)10(8)13/h3-4H,5-7,14H2,1-2H3
InChIKeyFSEBSSRCFWIGNG-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.69
Rot. Bonds3

About 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine

1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117324499) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117324499
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)ccc(C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-8-3-4-9(7-12(14)5-6-12)11(15-2)10(8)13/h3-4H,5-7,14H2,1-2H3
InChIKeyFSEBSSRCFWIGNG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-[2-(3-chloro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481536
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
3-chloro-1-(isocyanatomethyl)-2-methoxy-4-methylbenzene
CID 117302269
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
1-[(3-chloro-4-methoxy-2,5,6-trimethylphenyl)methyl]cyclopropan-1-amine
CID 117116102

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine (CID 117324499) is 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)ccc(C)c1Cl.
What is the InChIKey of 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is FSEBSSRCFWIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-3-4-9(7-12(14)5-6-12)11(15-2)10(8)13/h3-4H,5-7,14H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine?
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117324499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).