N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

C17H18Cl2FN — CID 43497580

IUPACN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-8-21-17(12-6-7-14(18)15(19)9-12)13-5-4-11(2)16(20)10-13/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyRWSPVJAJKXSXPV-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.53
Rot. Bonds5

About N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine

N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 43497580) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID43497580
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2FN/c1-3-8-21-17(12-6-7-14(18)15(19)9-12)13-5-4-11(2)16(20)10-13/h4-7,9-10,17,21H,3,8H2,1-2H3
InChIKeyRWSPVJAJKXSXPV-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(5-bromo-2-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130343
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(4-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107994731
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine (CID 43497580) is N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is RWSPVJAJKXSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-8-21-17(12-6-7-14(18)15(19)9-12)13-5-4-11(2)16(20)10-13/h4-7,9-10,17,21H,3,8H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).