trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine

C11H15NO2 — CID 39238725

IUPACtrans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc([C@H]2C[C@@H]2N)c(OC)c1
InChIInChI=1S/C11H15NO2/c1-13-7-3-4-8(9-6-10(9)12)11(5-7)14-2/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyCALGMPPSDMTLDR-ZJUUUORDSA-N
MW193.25 g/mol
LogP1.52
Rot. Bonds3

About trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine

trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 39238725) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID39238725
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nametrans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc([C@H]2C[C@@H]2N)c(OC)c1
InChIInChI=1S/C11H15NO2/c1-13-7-3-4-8(9-6-10(9)12)11(5-7)14-2/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyCALGMPPSDMTLDR-ZJUUUORDSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012452
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
3-[4-[(1S,2R)-2-aminocyclopropyl]-3-methoxyphenyl]phenol;hydrochloride
CID 66714565
5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
CID 64541230
1-(3-chloro-2-methylcyclopentyl)-2,4-dimethoxybenzene
CID 64910330
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
8-(2,4-dimethoxyphenyl)-3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 54445831

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine (CID 39238725) is trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine is COc1ccc([C@H]2C[C@@H]2N)c(OC)c1.
What is the InChIKey of trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is CALGMPPSDMTLDR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-7-3-4-8(9-6-10(9)12)11(5-7)14-2/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine?
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 39238725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).