(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine

C16H18FNO — CID 55257635

IUPAC(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12(14-6-4-3-5-7-14)18-11-13-8-9-16(19-2)15(17)10-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyYNPCJIDSJUJBAN-GFCCVEGCSA-N
MW259.32 g/mol
LogP3.69
Rot. Bonds5

About (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine

(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 55257635) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
PubChem CID55257635
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12(14-6-4-3-5-7-14)18-11-13-8-9-16(19-2)15(17)10-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyYNPCJIDSJUJBAN-GFCCVEGCSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81382171
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
(1S)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-phenylethanamine
CID 29048125
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine (CID 55257635) is (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)cc1F.
What is the InChIKey of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is YNPCJIDSJUJBAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(14-6-4-3-5-7-14)18-11-13-8-9-16(19-2)15(17)10-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 55257635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).