N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine

C16H18BrClN2 — CID 61416664

IUPACN-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Br)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H18BrClN2/c1-20(11-13-5-2-3-8-15(13)17)16(10-19)12-6-4-7-14(18)9-12/h2-9,16H,10-11,19H2,1H3
InChIKeyAHEOWGDINHKWPX-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.23
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine

N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 61416664) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
PubChem CID61416664
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC NameN-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Br)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C16H18BrClN2/c1-20(11-13-5-2-3-8-15(13)17)16(10-19)12-6-4-7-14(18)9-12/h2-9,16H,10-11,19H2,1H3
InChIKeyAHEOWGDINHKWPX-UHFFFAOYSA-N
XLogP4.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
N-[(3-bromophenyl)methyl]-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471937
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
1-(3-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 105404788
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
CID 63471932
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
2-(3-chlorophenyl)-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]ethanol
CID 87686392
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine (CID 61416664) is N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccccc1Br)C(CN)c1cccc(Cl)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is AHEOWGDINHKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-20(11-13-5-2-3-8-15(13)17)16(10-19)12-6-4-7-14(18)9-12/h2-9,16H,10-11,19H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine?
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 353.69 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61416664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).