1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine

C11H14ClNO — CID 84782091

IUPAC1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(C)c1Cl
InChIInChI=1S/C11H14ClNO/c1-7-5-8(11(13)3-4-11)6-9(14-2)10(7)12/h5-6H,3-4,13H2,1-2H3
InChIKeyRKGNWVQODHLJAQ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.60
Rot. Bonds2

About 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine

1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine (PubChem CID 84782091) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
PubChem CID84782091
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(C)c1Cl
InChIInChI=1S/C11H14ClNO/c1-7-5-8(11(13)3-4-11)6-9(14-2)10(7)12/h5-6H,3-4,13H2,1-2H3
InChIKeyRKGNWVQODHLJAQ-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
2-chloro-5-(1-isocyanatocyclopropyl)-1-methoxy-3-methylbenzene
CID 84798870
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine (CID 84782091) is 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)cc(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine?
The InChIKey is RKGNWVQODHLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-5-8(11(13)3-4-11)6-9(14-2)10(7)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine?
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84782091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).