N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine

C12H16Cl2N2 — CID 65385030

IUPACN-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c13-10-3-9(4-11(14)5-10)12(6-15)16-7-8-1-2-8/h3-5,8,12,16H,1-2,6-7,15H2
InChIKeyQLLNPFOZCQKKGG-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.99
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine (PubChem CID 65385030) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
PubChem CID65385030
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
SMILESNCC(NCC1CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2/c13-10-3-9(4-11(14)5-10)12(6-15)16-7-8-1-2-8/h3-5,8,12,16H,1-2,6-7,15H2
InChIKeyQLLNPFOZCQKKGG-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
CID 65384605
N-(cyclopropylmethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65385455
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65385023
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65383375
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070322
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(3,5-dichlorophenyl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011513
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine (CID 65385030) is N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine is NCC(NCC1CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is QLLNPFOZCQKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-10-3-9(4-11(14)5-10)12(6-15)16-7-8-1-2-8/h3-5,8,12,16H,1-2,6-7,15H2.
What are the key properties of N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 259.18 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).