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

C15H21Cl2N — CID 63401428

IUPAC1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-2-9-18-15(12-3-4-12)8-6-11-5-7-13(16)10-14(11)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3
InChIKeyRDYDJOKUPQCSAA-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.70
Rot. Bonds7

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

1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine (PubChem CID 63401428) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
PubChem CID63401428
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C15H21Cl2N/c1-2-9-18-15(12-3-4-12)8-6-11-5-7-13(16)10-14(11)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3
InChIKeyRDYDJOKUPQCSAA-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
3-(4-chloro-2-fluorophenyl)-1-cyclopentyl-N-ethylpropan-1-amine
CID 114850824
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
3-(2-bromo-4-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63354973
N-[2-(2,4-dichlorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 79965753
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine (CID 63401428) is 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccc(Cl)cc1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine?
The InChIKey is RDYDJOKUPQCSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-9-18-15(12-3-4-12)8-6-11-5-7-13(16)10-14(11)17/h5,7,10,12,15,18H,2-4,6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4-dichlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 63401428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).