1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine

C16H18FN — CID 105092976

IUPAC1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCC(N)c1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-12-5-2-3-6-13(12)9-10-16(18)14-7-4-8-15(17)11-14/h2-8,11,16H,9-10,18H2,1H3
InChIKeyZOAPVCJEZVPZJA-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine

1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 105092976) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID105092976
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CCC(N)c1cccc(F)c1
InChIInChI=1S/C16H18FN/c1-12-5-2-3-6-13(12)9-10-16(18)14-7-4-8-15(17)11-14/h2-8,11,16H,9-10,18H2,1H3
InChIKeyZOAPVCJEZVPZJA-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-[3-chloro-4-(3-fluorophenyl)butyl]-2-methylbenzene
CID 63542842
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine (CID 105092976) is 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is ZOAPVCJEZVPZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-5-2-3-6-13(12)9-10-16(18)14-7-4-8-15(17)11-14/h2-8,11,16H,9-10,18H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine?
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 105092976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).