(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine

C16H17ClFNO — CID 81368416

IUPAC(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-11(12-4-3-5-15(18)9-12)19-10-13-8-14(17)6-7-16(13)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyHIGWBWFJEANZSW-LLVKDONJSA-N
MW293.77 g/mol
LogP4.34
Rot. Bonds5

About (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine

(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81368416) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81368416
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-11(12-4-3-5-15(18)9-12)19-10-13-8-14(17)6-7-16(13)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyHIGWBWFJEANZSW-LLVKDONJSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43406776
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
4-chloro-2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methoxyphenol
CID 104663938
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine (CID 81368416) is (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine is COc1ccc(Cl)cc1CN[C@H](C)c1cccc(F)c1.
What is the InChIKey of (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is HIGWBWFJEANZSW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(12-4-3-5-15(18)9-12)19-10-13-8-14(17)6-7-16(13)20-2/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine?
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81368416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).