1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine

C17H20FNO — CID 61033554

IUPAC1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-16(19-2)14-7-5-6-12(10-14)13-8-9-17(20-3)15(18)11-13/h5-11,16,19H,4H2,1-3H3
InChIKeyMUTCGOVQTNUMEX-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.17
Rot. Bonds5

About 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine

1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 61033554) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
PubChem CID61033554
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-4-16(19-2)14-7-5-6-12(10-14)13-8-9-17(20-3)15(18)11-13/h5-11,16,19H,4H2,1-3H3
InChIKeyMUTCGOVQTNUMEX-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 106681161
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
CID 61033126
4-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylbutan-2-amine
CID 82540176
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine (CID 61033554) is 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1cccc(-c2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is MUTCGOVQTNUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-16(19-2)14-7-5-6-12(10-14)13-8-9-17(20-3)15(18)11-13/h5-11,16,19H,4H2,1-3H3.
What are the key properties of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine?
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61033554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).