cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride

C12H18ClNO — CID 118730209

IUPACcis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1cccc(OC)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-12(13)8-11(12)9-5-4-6-10(7-9)14-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-,12+;/m1./s1
InChIKeyHTHKMSRTCMKCPL-LYCTWNKOSA-N
MW227.74 g/mol
LogP2.71
Rot. Bonds3

About cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride

cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 118730209) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
PubChem CID118730209
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Namecis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1cccc(OC)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-3-12(13)8-11(12)9-5-4-6-10(7-9)14-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-,12+;/m1./s1
InChIKeyHTHKMSRTCMKCPL-LYCTWNKOSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 90198014
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 118483897
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 118483898
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
2-(3-fluorophenyl)-1-propylcyclopropan-1-amine
CID 84665026
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride (CID 118730209) is cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride is CC[C@]1(N)C[C@@H]1c1cccc(OC)c1.Cl.
What is the InChIKey of cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is HTHKMSRTCMKCPL-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-3-12(13)8-11(12)9-5-4-6-10(7-9)14-2;/h4-7,11H,3,8,13H2,1-2H3;1H/t11-,12+;/m1./s1.
What are the key properties of cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethyl-2-(3-methoxyphenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).