1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine

C15H21BrClN — CID 104995282

IUPAC1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H21BrClN/c1-2-9-18-15(8-5-11-3-4-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyQVTZPLMHKMRLJV-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.33
Rot. Bonds7

About 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine

1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine (PubChem CID 104995282) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
PubChem CID104995282
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H21BrClN/c1-2-9-18-15(8-5-11-3-4-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyQVTZPLMHKMRLJV-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-bromo-3-chlorophenyl)-3-cyclopropylpropyl]hydrazine
CID 105315140
N-[1-(4-bromo-3-chlorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115847097
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
1-(4-bromo-3-chlorophenyl)-N-ethylbutan-1-amine
CID 114981903
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3-chlorophenyl)ethyl]propan-1-amine
CID 105012937
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropyl-N-ethylpropan-1-amine
CID 104995067
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
3-cyclopropyl-1-(3-propan-2-yloxyphenyl)-N-propylpropan-1-amine
CID 104995268
[1-(3-chloro-4-methylphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315126

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine (CID 104995282) is 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine is CCCNC(CCC1CC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine?
The InChIKey is QVTZPLMHKMRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-2-9-18-15(8-5-11-3-4-11)12-6-7-13(16)14(17)10-12/h6-7,10-11,15,18H,2-5,8-9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine?
1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine has a molecular weight of 330.70 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine is sourced from PubChem (CID 104995282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).