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

C18H21Cl2N — CID 43495535

IUPACN-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-4-9-21-18(14-6-8-16(19)17(20)11-14)15-7-5-12(2)10-13(15)3/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyZPNPGQBCTHMORH-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.70
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43495535) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID43495535
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C
InChIInChI=1S/C18H21Cl2N/c1-4-9-21-18(14-6-8-16(19)17(20)11-14)15-7-5-12(2)10-13(15)3/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyZPNPGQBCTHMORH-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 43495516
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine (CID 43495535) is N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is ZPNPGQBCTHMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-9-21-18(14-6-8-16(19)17(20)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-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine?
N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.70, 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)-(2,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).