N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine

C14H20Cl2N2 — CID 62860754

IUPACN-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CCC1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-18(9-10-3-2-4-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyBURBVCKODYOWQM-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.73
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine

N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 62860754) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
PubChem CID62860754
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(CC1CCC1)C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-18(9-10-3-2-4-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyBURBVCKODYOWQM-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
1-(3,5-dichlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308719
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
1-(3-bromo-4-fluorophenyl)-N-(cyclobutylmethyl)-N-methylethane-1,2-diamine
CID 62860214
N-(cyclopentylmethyl)-N-methyl-1-pyridin-4-ylethane-1,2-diamine
CID 63633114
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
1-(3,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-N-methylethane-1,2-diamine
CID 55227719
1-(3-bromo-4-fluorophenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 55250020
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
N-(cyclobutylmethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861284
1-(3-bromophenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444453

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine (CID 62860754) is N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine is CN(CC1CCC1)C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is BURBVCKODYOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-18(9-10-3-2-4-10)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,2-4,8-9,17H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine?
N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 287.23 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(3,5-dichlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62860754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).