trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine

C11H15NO — CID 54194061

IUPACtrans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc([C@@H]2C[C@H]2N)ccc1C
InChIInChI=1S/C11H15NO/c1-7-3-4-8(5-11(7)13-2)9-6-10(9)12/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyPKNSQQWPLVLJGL-VHSXEESVSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds2

About trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine

trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine (PubChem CID 54194061) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine
PubChem CID54194061
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nametrans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc([C@@H]2C[C@H]2N)ccc1C
InChIInChI=1S/C11H15NO/c1-7-3-4-8(5-11(7)13-2)9-6-10(9)12/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m0/s1
InChIKeyPKNSQQWPLVLJGL-VHSXEESVSA-N
XLogP1.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
3-(3-methoxy-4-methylphenoxy)cyclobutan-1-amine
CID 162346422
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
[2-(4-methoxy-3-methylphenyl)cyclopropyl]methanol
CID 81357282
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine (CID 54194061) is trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine is COc1cc([C@@H]2C[C@H]2N)ccc1C.
What is the InChIKey of trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine?
The InChIKey is PKNSQQWPLVLJGL-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-3-4-8(5-11(7)13-2)9-6-10(9)12/h3-5,9-10H,6,12H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine?
trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(3-methoxy-4-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 54194061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).