1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine

C17H20FN — CID 43481338

IUPAC1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1ccc(F)cc1
InChIInChI=1S/C17H20FN/c1-3-16(13-7-5-4-6-8-13)17(19-2)14-9-11-15(18)12-10-14/h4-12,16-17,19H,3H2,1-2H3
InChIKeyXONNYDCERZZRIP-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.28
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine

1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 43481338) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID43481338
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1ccc(F)cc1
InChIInChI=1S/C17H20FN/c1-3-16(13-7-5-4-6-8-13)17(19-2)14-9-11-15(18)12-10-14/h4-12,16-17,19H,3H2,1-2H3
InChIKeyXONNYDCERZZRIP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
2-(4-fluorophenyl)sulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64658287
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
1-(4-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 82984028
1-(4-fluorophenyl)-N-methyl-1-phenylpentan-2-amine
CID 83047873
(2S)-3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67204460
3-(4-fluorophenyl)-3-(methylamino)-2-naphthalen-2-ylpropan-1-ol
CID 67203907
1-(4-fluorophenyl)-1-N,2-N-bis(1-phenylethyl)butane-1,2-diamine
CID 78159070

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine (CID 43481338) is 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is XONNYDCERZZRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-3-16(13-7-5-4-6-8-13)17(19-2)14-9-11-15(18)12-10-14/h4-12,16-17,19H,3H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 43481338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).