(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C15H17FN2O — CID 81347461

IUPAC(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@H](C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O/c1-11(12-6-8-13(16)9-7-12)17-10-14-4-3-5-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyBZAABWICXAFSJR-LLVKDONJSA-N
MW260.31 g/mol
LogP3.08
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 81347461) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID81347461
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@H](C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O/c1-11(12-6-8-13(16)9-7-12)17-10-14-4-3-5-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1
InChIKeyBZAABWICXAFSJR-LLVKDONJSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1R)-1-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81399782
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 81347461) is (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CN[C@H](C)c2ccc(F)cc2)n1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is BZAABWICXAFSJR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(12-6-8-13(16)9-7-12)17-10-14-4-3-5-15(18-14)19-2/h3-9,11,17H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 260.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81347461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).