N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

C14H23BrN2 — CID 113409096

IUPACN'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(Br)c(CN(C)CCNC(C)C)c1
InChIInChI=1S/C14H23BrN2/c1-11(2)16-7-8-17(4)10-13-9-12(3)5-6-14(13)15/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyLGHKUCNWIACTEW-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.19
Rot. Bonds6

About N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 113409096) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID113409096
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(Br)c(CN(C)CCNC(C)C)c1
InChIInChI=1S/C14H23BrN2/c1-11(2)16-7-8-17(4)10-13-9-12(3)5-6-14(13)15/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyLGHKUCNWIACTEW-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine 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-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
N'-[(2-bromo-3-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 114023812
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N'-[(4-bromo-2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409121
N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 55002463
N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
CID 75471098
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
CID 114369376
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 113409096) is N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is Cc1ccc(Br)c(CN(C)CCNC(C)C)c1.
What is the InChIKey of N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is LGHKUCNWIACTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-11(2)16-7-8-17(4)10-13-9-12(3)5-6-14(13)15/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-5-methylphenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 113409096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).