N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine

C12H16Cl2N2 — CID 66568165

IUPACN'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2/c13-10-1-4-12(14)9(7-10)8-16(6-5-15)11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2
InChIKeyLMRSNNPYMKGJFT-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.92
Rot. Bonds5

About N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine (PubChem CID 66568165) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
PubChem CID66568165
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H16Cl2N2/c13-10-1-4-12(14)9(7-10)8-16(6-5-15)11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2
InChIKeyLMRSNNPYMKGJFT-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
CID 55037213
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
3-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 114849123
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 66568175
(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine (CID 66568165) is N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine is NCCN(Cc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is LMRSNNPYMKGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-10-1-4-12(14)9(7-10)8-16(6-5-15)11-2-3-11/h1,4,7,11H,2-3,5-6,8,15H2.
What are the key properties of N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 259.18 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 66568165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).