1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine

C17H20N2O — CID 61311987

IUPAC1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(CNC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C17H20N2O/c1-20-16-10-7-13(11-18-16)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3
InChIKeyYJHKMYAMIAONTB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.33
Rot. Bonds6

About 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine

1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 61311987) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID61311987
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(CNC(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C17H20N2O/c1-20-16-10-7-13(11-18-16)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3
InChIKeyYJHKMYAMIAONTB-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 80707743
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
1,2,2-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 175358714
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106936170
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine (CID 61311987) is 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine is COc1ccc(CNC(c2ccccc2)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is YJHKMYAMIAONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-10-7-13(11-18-16)12-19-17(15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,17,19H,8-9,12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine?
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 61311987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).