cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride

C12H18ClNO — CID 167712997

IUPACcyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
SMILESCOc1cccc(C)c1C(N)C1CC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-4-3-5-10(14-2)11(8)12(13)9-6-7-9;/h3-5,9,12H,6-7,13H2,1-2H3;1H
InChIKeyJDUNLPUVYCTBCU-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.84
Rot. Bonds3

About cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride

cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride (PubChem CID 167712997) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
PubChem CID167712997
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Namecyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
SMILESCOc1cccc(C)c1C(N)C1CC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-8-4-3-5-10(14-2)11(8)12(13)9-6-7-9;/h3-5,9,12H,6-7,13H2,1-2H3;1H
InChIKeyJDUNLPUVYCTBCU-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
2-[(R)-amino(cyclopropyl)methyl]-3-methylphenol
CID 130839880
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride?
The IUPAC name of cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride (CID 167712997) is cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride is COc1cccc(C)c1C(N)C1CC1.Cl.
What is the InChIKey of cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride?
The InChIKey is JDUNLPUVYCTBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-8-4-3-5-10(14-2)11(8)12(13)9-6-7-9;/h3-5,9,12H,6-7,13H2,1-2H3;1H.
What are the key properties of cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride?
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 167712997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).