1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19Cl2N — CID 114978904

IUPAC1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-5-16-13(9(2)3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyOPSASAXNSWRLJW-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 114978904) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID114978904
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)C(C)C
InChIInChI=1S/C13H19Cl2N/c1-4-5-16-13(9(2)3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3
InChIKeyOPSASAXNSWRLJW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1,2-bis(3,5-dichlorophenyl)-N,N'-diethylethane-1,2-diamine;dihydrochloride
CID 45259637
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 114978465
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
1-(3,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001020
1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
1-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (CID 114978904) is 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)C(C)C.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is OPSASAXNSWRLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-4-5-16-13(9(2)3)10-6-11(14)8-12(15)7-10/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114978904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).