N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine

C18H21ClFN — CID 63418754

IUPACN-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21ClFN/c1-4-9-21-18(14-6-8-17(20)16(19)11-14)15-7-5-12(2)10-13(15)3/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyNXVMAZXLMCKBRG-UHFFFAOYSA-N
MW305.82 g/mol
LogP5.18
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine

N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 63418754) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID63418754
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21ClFN/c1-4-9-21-18(14-6-8-17(20)16(19)11-14)15-7-5-12(2)10-13(15)3/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyNXVMAZXLMCKBRG-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495535
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-chloro-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82875567
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (CID 63418754) is N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(Cl)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is NXVMAZXLMCKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-4-9-21-18(14-6-8-17(20)16(19)11-14)15-7-5-12(2)10-13(15)3/h5-8,10-11,18,21H,4,9H2,1-3H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63418754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).