N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine

C14H19Br2N — CID 81474265

IUPACN-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(C)cc1Br)C1CC1
InChIInChI=1S/C14H19Br2N/c1-3-6-17-14(10-4-5-10)11-8-12(15)9(2)7-13(11)16/h7-8,10,14,17H,3-6H2,1-2H3
InChIKeyPMFZGQXCRRBFMD-UHFFFAOYSA-N
MW361.12 g/mol
LogP4.97
Rot. Bonds5

About N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine

N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine (PubChem CID 81474265) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
PubChem CID81474265
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC NameN-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)c(C)cc1Br)C1CC1
InChIInChI=1S/C14H19Br2N/c1-3-6-17-14(10-4-5-10)11-8-12(15)9(2)7-13(11)16/h7-8,10,14,17H,3-6H2,1-2H3
InChIKeyPMFZGQXCRRBFMD-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[(2,5-dibromo-4-methylphenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 81473205
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(2,5-dibromo-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 81473120
N-[(4-bromo-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79758101
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine (CID 81474265) is N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)c(C)cc1Br)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is PMFZGQXCRRBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-3-6-17-14(10-4-5-10)11-8-12(15)9(2)7-13(11)16/h7-8,10,14,17H,3-6H2,1-2H3.
What are the key properties of N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine?
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 361.12 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81474265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).