(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine

C16H18FNO — CID 96930071

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

About (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine

(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 96930071) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
PubChem CID96930071
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@H](C)c2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(13-6-4-3-5-7-13)18-11-14-8-9-15(19-2)10-16(14)17/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyQNSGEUQKSPLRBE-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)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylethanamine;oxalic acid
CID 17052931
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
3-fluoro-4-[(1-phenylethylamino)methyl]benzonitrile
CID 43179320
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine (CID 96930071) is (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine is COc1ccc(CN[C@H](C)c2ccccc2)c(F)c1.
What is the InChIKey of (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is QNSGEUQKSPLRBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(13-6-4-3-5-7-13)18-11-14-8-9-15(19-2)10-16(14)17/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine?
(1R)-N-[(2-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-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 96930071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).