(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

C17H21FN2O — CID 81352653

IUPAC(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CN[C@@H](C)c2cccc(F)c2)c1C
InChIInChI=1S/C17H21FN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyGIOYMBVPFWZSFT-ZDUSSCGKSA-N
MW288.37 g/mol
LogP3.70
Rot. Bonds5

About (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (PubChem CID 81352653) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
PubChem CID81352653
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1c(C)cnc(CN[C@@H](C)c2cccc(F)c2)c1C
InChIInChI=1S/C17H21FN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyGIOYMBVPFWZSFT-ZDUSSCGKSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81381748
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 97196249
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 81406746
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43534519
4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylaniline
CID 28584179
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-1-phenylethanol
CID 43499835
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
(1S)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81352021
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111877573

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine (CID 81352653) is (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is COc1c(C)cnc(CN[C@@H](C)c2cccc(F)c2)c1C.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is GIOYMBVPFWZSFT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11-9-20-16(12(2)17(11)21-4)10-19-13(3)14-6-5-7-15(18)8-14/h5-9,13,19H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81352653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).