(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

C16H18N2O — CID 58035527

IUPAC(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1cncc(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-19-14-7-12(9-17-11-14)10-18-16-8-15(16)13-5-3-2-4-6-13/h2-7,9,11,15-16,18H,8,10H2,1H3/t15?,16-/m0/s1
InChIKeyDEAJEIYGQROVCF-LYKKTTPLSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds5

About (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine

(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 58035527) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID58035527
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1cncc(CN[C@H]2CC2c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-19-14-7-12(9-17-11-14)10-18-16-8-15(16)13-5-3-2-4-6-13/h2-7,9,11,15-16,18H,8,10H2,1H3/t15?,16-/m0/s1
InChIKeyDEAJEIYGQROVCF-LYKKTTPLSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 58035527) is (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is COc1cncc(CN[C@H]2CC2c2ccccc2)c1.
What is the InChIKey of (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is DEAJEIYGQROVCF-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-14-7-12(9-17-11-14)10-18-16-8-15(16)13-5-3-2-4-6-13/h2-7,9,11,15-16,18H,8,10H2,1H3/t15?,16-/m0/s1.
What are the key properties of (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
(1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).