2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine

C17H20FNO — CID 79008004

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNO/c1-3-17(19,12-13-7-5-4-6-8-13)14-9-10-16(20-2)15(18)11-14/h4-11H,3,12,19H2,1-2H3
InChIKeyQTVPHZXOGZPRFW-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.64
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine

2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine (PubChem CID 79008004) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
PubChem CID79008004
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H20FNO/c1-3-17(19,12-13-7-5-4-6-8-13)14-9-10-16(20-2)15(18)11-14/h4-11H,3,12,19H2,1-2H3
InChIKeyQTVPHZXOGZPRFW-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656
2-(2,4-dimethoxyphenyl)-1-phenylbutan-2-amine
CID 79008649
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
1-phenyl-2-quinolin-6-ylbutan-2-amine
CID 81196822
2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833315
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
4-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-fluoro-1-methoxybenzene
CID 79446584

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine (CID 79008004) is 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine?
The InChIKey is QTVPHZXOGZPRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(19,12-13-7-5-4-6-8-13)14-9-10-16(20-2)15(18)11-14/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine?
2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79008004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).