(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine

C16H18FNO — CID 93009968

IUPAC(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(18-2)14-8-9-16(15(17)10-14)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyDQYVFQOOITXJBG-GFCCVEGCSA-N
MW259.32 g/mol
LogP3.69
Rot. Bonds5

About (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine

(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine (PubChem CID 93009968) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
PubChem CID93009968
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1ccc(OCc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(18-2)14-8-9-16(15(17)10-14)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyDQYVFQOOITXJBG-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

1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735
1-[4-[(3-bromophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 82824039
1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 63937562
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
N-[(3-fluoro-4-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 59768400
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
3-(3-fluoro-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 70863911
1-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114492391
(1R)-N-benzyl-1-(3-fluoro-4-propan-2-yloxyphenyl)ethanamine
CID 29037552

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine (CID 93009968) is (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine is CN[C@H](C)c1ccc(OCc2ccccc2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine?
The InChIKey is DQYVFQOOITXJBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18-2)14-8-9-16(15(17)10-14)19-11-13-6-4-3-5-7-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine?
(1R)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine 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)-1-(3-fluoro-4-phenylmethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 93009968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).