N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C14H21Br2N3 — CID 115693200

IUPACN-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C14H21Br2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyUOVKLIOPWVCNTM-UHFFFAOYSA-N
MW391.15 g/mol
LogP2.55
Rot. Bonds4

About N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 115693200) has the molecular formula C14H21Br2N3 and a molecular weight of 391.15 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID115693200
Molecular FormulaC14H21Br2N3
Molecular Weight391.15 g/mol
Exact Mass389.01
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(CNCc2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C14H21Br2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3
InChIKeyUOVKLIOPWVCNTM-UHFFFAOYSA-N
XLogP2.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine 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-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
N-(1,3-benzodioxol-5-ylmethyl)-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897058
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 63896870
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
N-[(4-chloro-3-nitrophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 78954976
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 115693200) is N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(CNCc2ccc(Br)c(Br)c2)C1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is UOVKLIOPWVCNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N3/c1-18-5-6-19(2)12(10-18)9-17-8-11-3-4-13(15)14(16)7-11/h3-4,7,12,17H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 391.15 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 115693200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).