N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine

C15H17ClN2 — CID 28771174

IUPACN'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2/c16-15-9-5-4-6-13(15)12-18(11-10-17)14-7-2-1-3-8-14/h1-9H,10-12,17H2
InChIKeyWTSMFYCDTROSNQ-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.31
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine

N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine (PubChem CID 28771174) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
PubChem CID28771174
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
SMILESNCCN(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2/c16-15-9-5-4-6-13(15)12-18(11-10-17)14-7-2-1-3-8-14/h1-9H,10-12,17H2
InChIKeyWTSMFYCDTROSNQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
CID 21414515
N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 28771738
3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
4-[(2-chlorophenyl)methyl-(2-methylsulfonylethyl)amino]benzenesulfonamide
CID 22036168
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine (CID 28771174) is N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine is NCCN(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine?
The InChIKey is WTSMFYCDTROSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-15-9-5-4-6-13(15)12-18(11-10-17)14-7-2-1-3-8-14/h1-9H,10-12,17H2.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine?
N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 28771174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).