2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine

C15H21Cl2N — CID 83155273

IUPAC2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-3-8-18-15(10(2)11-4-5-11)12-6-7-13(16)14(17)9-12/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyOLXAUZIOBCEEEK-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.08
Rot. Bonds6

About 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine

2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine (PubChem CID 83155273) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
PubChem CID83155273
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(Cl)c(Cl)c1)C(C)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-3-8-18-15(10(2)11-4-5-11)12-6-7-13(16)14(17)9-12/h6-7,9-11,15,18H,3-5,8H2,1-2H3
InChIKeyOLXAUZIOBCEEEK-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2-cyclopropyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 105021677
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine (CID 83155273) is 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine is CCCNC(c1ccc(Cl)c(Cl)c1)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine?
The InChIKey is OLXAUZIOBCEEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-8-18-15(10(2)11-4-5-11)12-6-7-13(16)14(17)9-12/h6-7,9-11,15,18H,3-5,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine?
2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine has a molecular weight of 286.25 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 2-cyclopropyl-1-(3,4-dichlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 83155273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).