1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine

C14H21Cl2N — CID 43497568

IUPAC1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)CC
InChIInChI=1S/C14H21Cl2N/c1-4-8-17-14(10(3)5-2)11-6-7-12(15)13(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyZDTOLUSDCYVAAY-UHFFFAOYSA-N
MW274.24 g/mol
LogP5.08
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine

1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 43497568) has the molecular formula C14H21Cl2N and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID43497568
Molecular FormulaC14H21Cl2N
Molecular Weight274.24 g/mol
Exact Mass273.11
IUPAC Name1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)CC
InChIInChI=1S/C14H21Cl2N/c1-4-8-17-14(10(3)5-2)11-6-7-12(15)13(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyZDTOLUSDCYVAAY-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
CID 83155273
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
2-methyl-N-propyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 79445771
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
2-methyl-N-propyl-1-pyridin-3-ylbutan-1-amine
CID 63716862
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
1-(3,4-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727173

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine (CID 43497568) is 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(Cl)c(Cl)c1)C(C)CC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is ZDTOLUSDCYVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-8-17-14(10(3)5-2)11-6-7-12(15)13(16)9-11/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine?
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 274.24 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 43497568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).