N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine

C14H19Br2N — CID 107945969

IUPACN-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-2-7-17-14(8-10-3-4-10)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyFORBXKZPVNJEGR-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.05
Rot. Bonds6

About N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine (PubChem CID 107945969) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
PubChem CID107945969
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC NameN-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H19Br2N/c1-2-7-17-14(8-10-3-4-10)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,2-4,7-8H2,1H3
InChIKeyFORBXKZPVNJEGR-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
N-[1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]propan-1-amine
CID 104986363
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine (CID 107945969) is N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine is CCCNC(CC1CC1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The InChIKey is FORBXKZPVNJEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-2-7-17-14(8-10-3-4-10)12-6-5-11(15)9-13(12)16/h5-6,9-10,14,17H,2-4,7-8H2,1H3.
What are the key properties of N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine has a molecular weight of 361.12 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107945969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).