trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

C15H16N2O — CID 66714216

IUPACtrans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cccc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1
InChIInChI=1S/C15H16N2O/c1-18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14H,8,16H2,1H3/t13-,14+/m0/s1
InChIKeyCMEONXRKVOVZHX-UONOGXRCSA-N
MW240.31 g/mol
LogP2.57
Rot. Bonds3

About trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 66714216) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID66714216
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Nametrans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cccc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1
InChIInChI=1S/C15H16N2O/c1-18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14H,8,16H2,1H3/t13-,14+/m0/s1
InChIKeyCMEONXRKVOVZHX-UONOGXRCSA-N
XLogP2.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (CID 66714216) is trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is COc1cccc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1.
What is the InChIKey of trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is CMEONXRKVOVZHX-UONOGXRCSA-N. The full InChI is InChI=1S/C15H16N2O/c1-18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14H,8,16H2,1H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 240.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 66714216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).