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

C13H17Br2N — CID 107946084

IUPACN-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C13H17Br2N/c1-2-7-16-13(9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyWNXNPYTXJTZOCK-UHFFFAOYSA-N
MW347.09 g/mol
LogP4.66
Rot. Bonds5

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

N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine (PubChem CID 107946084) has the molecular formula C13H17Br2N and a molecular weight of 347.09 g/mol. Its IUPAC name is N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
PubChem CID107946084
Molecular FormulaC13H17Br2N
Molecular Weight347.09 g/mol
Exact Mass344.97
IUPAC NameN-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1Br)C1CC1
InChIInChI=1S/C13H17Br2N/c1-2-7-16-13(9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3
InChIKeyWNXNPYTXJTZOCK-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[(5-bromo-2-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104988636
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[(4-bromo-2-fluorophenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 114906767

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine (CID 107946084) is N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1Br)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine?
The InChIKey is WNXNPYTXJTZOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N/c1-2-7-16-13(9-3-4-9)11-6-5-10(14)8-12(11)15/h5-6,8-9,13,16H,2-4,7H2,1H3.
What are the key properties of N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine?
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine has a molecular weight of 347.09 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107946084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).