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

C16H18N2O — CID 66630014

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ncccc1CNC1CC1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3
InChIKeyNPKNICGBPBZUFV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.74
Rot. Bonds5

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

N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 66630014) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID66630014
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
SMILESCOc1ncccc1CNC1CC1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3
InChIKeyNPKNICGBPBZUFV-UHFFFAOYSA-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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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 60859803
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364324
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629953
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035512
N-[(2-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 60857681
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 66629200

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine (CID 66630014) is N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is COc1ncccc1CNC1CC1c1ccccc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is NPKNICGBPBZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-16-13(8-5-9-17-16)11-18-15-10-14(15)12-6-3-2-4-7-12/h2-9,14-15,18H,10-11H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine?
N-[(2-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 N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 66630014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).