N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

C18H22FN — CID 43494021

IUPACN-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FN/c1-4-11-20-18(15-7-9-17(19)10-8-15)16-6-5-13(2)14(3)12-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyRMMAOYIPBBJLAI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.53
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43494021) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43494021
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FN/c1-4-11-20-18(15-7-9-17(19)10-8-15)16-6-5-13(2)14(3)12-16/h5-10,12,18,20H,4,11H2,1-3H3
InChIKeyRMMAOYIPBBJLAI-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43629874
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(3,4-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153418

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 43494021) is N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is RMMAOYIPBBJLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-11-20-18(15-7-9-17(19)10-8-15)16-6-5-13(2)14(3)12-16/h5-10,12,18,20H,4,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).