[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine

C17H20FN — CID 116545403

IUPAC[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
SMILESCC(C)Cc1cccc(-c2cc(CN)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-12(2)8-13-4-3-5-15(9-13)16-10-14(11-19)6-7-17(16)18/h3-7,9-10,12H,8,11,19H2,1-2H3
InChIKeyVUZODCJZTOCESQ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.15
Rot. Bonds4

About [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine

[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine (PubChem CID 116545403) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
PubChem CID116545403
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine
SMILESCC(C)Cc1cccc(-c2cc(CN)ccc2F)c1
InChIInChI=1S/C17H20FN/c1-12(2)8-13-4-3-5-15(9-13)16-10-14(11-19)6-7-17(16)18/h3-7,9-10,12H,8,11,19H2,1-2H3
InChIKeyVUZODCJZTOCESQ-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
3-fluoro-4-[3-(2-methylpropyl)phenyl]aniline
CID 116545257
[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
CID 116926181
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183
4-chloro-2-[3-(2-methylpropyl)phenyl]-1-propan-2-ylbenzene
CID 146207453
3-fluoro-4-[3-(2-methylpropyl)phenyl]benzaldehyde
CID 116545289
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
[3-(5-fluoro-1-propan-2-ylpyrazol-4-yl)phenyl]methanamine
CID 114244098
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
CID 168665262
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine (CID 116545403) is [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine is CC(C)Cc1cccc(-c2cc(CN)ccc2F)c1.
What is the InChIKey of [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine?
The InChIKey is VUZODCJZTOCESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12(2)8-13-4-3-5-15(9-13)16-10-14(11-19)6-7-17(16)18/h3-7,9-10,12H,8,11,19H2,1-2H3.
What are the key properties of [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine?
[4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[3-(2-methylpropyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 116545403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).