1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

C15H23Cl2N — CID 63501913

IUPAC1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)C(C)(C)CC
InChIInChI=1S/C15H23Cl2N/c1-5-9-18-14(15(3,4)6-2)12-8-7-11(16)10-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyHICFETAWBJWTTH-UHFFFAOYSA-N
MW288.26 g/mol
LogP5.47
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine

1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (PubChem CID 63501913) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
PubChem CID63501913
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Cl)C(C)(C)CC
InChIInChI=1S/C15H23Cl2N/c1-5-9-18-14(15(3,4)6-2)12-8-7-11(16)10-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3
InChIKeyHICFETAWBJWTTH-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 55.47
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
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-(2,4-dimethoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 62679747
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
N-[1-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015002
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 104545740
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine (CID 63501913) is 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is CCCNC(c1ccc(Cl)cc1Cl)C(C)(C)CC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
The InChIKey is HICFETAWBJWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-5-9-18-14(15(3,4)6-2)12-8-7-11(16)10-13(12)17/h7-8,10,14,18H,5-6,9H2,1-4H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine?
1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine has a molecular weight of 288.26 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2,2-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 63501913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).