1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine

C18H22FN — CID 43225746

IUPAC1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCc1cccc(CNC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H22FN/c1-13(2)18(16-7-9-17(19)10-8-16)20-12-15-6-4-5-14(3)11-15/h4-11,13,18,20H,12H2,1-3H3
InChIKeyMLVRWUGEFIUCDR-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine

1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine (PubChem CID 43225746) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
PubChem CID43225746
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
SMILESCc1cccc(CNC(c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C18H22FN/c1-13(2)18(16-7-9-17(19)10-8-16)20-12-15-6-4-5-14(3)11-15/h4-11,13,18,20H,12H2,1-3H3
InChIKeyMLVRWUGEFIUCDR-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
3-methyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 106345275
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
1-(4-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43225777

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine (CID 43225746) is 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine is Cc1cccc(CNC(c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
The InChIKey is MLVRWUGEFIUCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)18(16-7-9-17(19)10-8-16)20-12-15-6-4-5-14(3)11-15/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine?
1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43225746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).