N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine

C18H21Cl2N — CID 63502964

IUPACN-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-4-7-21-18(14-9-12(2)8-13(3)10-14)16-6-5-15(19)11-17(16)20/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyYTOBKDWTGNPJLP-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.70
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine

N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 63502964) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID63502964
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21Cl2N/c1-4-7-21-18(14-9-12(2)8-13(3)10-14)16-6-5-15(19)11-17(16)20/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyYTOBKDWTGNPJLP-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-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine (CID 63502964) is N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is YTOBKDWTGNPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-4-7-21-18(14-9-12(2)8-13(3)10-14)16-6-5-15(19)11-17(16)20/h5-6,8-11,18,21H,4,7H2,1-3H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine?
N-[(2,4-dichlorophenyl)-(3,5-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-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63502964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).