N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C16H17ClFNO — CID 115762172

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(12-3-6-15(20-2)7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFXPHVQGVNFTFMR-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.34
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 115762172) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID115762172
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(12-3-6-15(20-2)7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFXPHVQGVNFTFMR-UHFFFAOYSA-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

1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828
4-fluoro-3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 81368640
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
N-[(4-chloro-2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114841774
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 115762172) is N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCc2cc(Cl)ccc2F)cc1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is FXPHVQGVNFTFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(12-3-6-15(20-2)7-4-12)19-10-13-9-14(17)5-8-16(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)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 N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 115762172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).