(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine

C16H18N2O — CID 105066143

IUPAC(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine
SMILESCOc1cnccc1C(N)C1CC1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-15-10-18-8-7-12(15)16(17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16H,9,17H2,1H3
InChIKeyQTAWDRNRLCFZOA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.89
Rot. Bonds4

About (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine

(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 105066143) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine
PubChem CID105066143
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine
SMILESCOc1cnccc1C(N)C1CC1c1ccccc1
InChIInChI=1S/C16H18N2O/c1-19-15-10-18-8-7-12(15)16(17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16H,9,17H2,1H3
InChIKeyQTAWDRNRLCFZOA-UHFFFAOYSA-N
XLogP2.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
(4-ethylcyclohexyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065687
(2-bromophenyl)-[(1R,2S)-2-phenylcyclopropyl]methanamine
CID 138039926
(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methanamine
CID 116517865
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine (CID 105066143) is (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine is COc1cnccc1C(N)C1CC1c1ccccc1.
What is the InChIKey of (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is QTAWDRNRLCFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15-10-18-8-7-12(15)16(17)14-9-13(14)11-5-3-2-4-6-11/h2-8,10,13-14,16H,9,17H2,1H3.
What are the key properties of (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine?
(3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 105066143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).