1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine

C17H20FN — CID 107130176

IUPAC1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FN/c1-12-4-3-5-14(10-12)7-9-17(19)15-8-6-13(2)16(18)11-15/h3-6,8,10-11,17H,7,9,19H2,1-2H3
InChIKeyRWUNKPPXMMYSAD-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.08
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine

1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 107130176) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID107130176
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CCC(N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FN/c1-12-4-3-5-14(10-12)7-9-17(19)15-8-6-13(2)16(18)11-15/h3-6,8,10-11,17H,7,9,19H2,1-2H3
InChIKeyRWUNKPPXMMYSAD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenyl)propan-1-amine
CID 105182059
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
[1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105304055

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine (CID 107130176) is 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CCC(N)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is RWUNKPPXMMYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-4-3-5-14(10-12)7-9-17(19)15-8-6-13(2)16(18)11-15/h3-6,8,10-11,17H,7,9,19H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine?
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 107130176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).