N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine

C15H22Cl2N2 — CID 61440583

IUPACN-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-8-19(12-5-6-12)15(10-18)11-4-7-13(16)14(17)9-11/h4,7,9,12,15H,2-3,5-6,8,10,18H2,1H3
InChIKeyOXBMOFNFNDPUNP-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.26
Rot. Bonds7

About N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine

N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine (PubChem CID 61440583) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
PubChem CID61440583
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
SMILESCCCCN(C1CC1)C(CN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2/c1-2-3-8-19(12-5-6-12)15(10-18)11-4-7-13(16)14(17)9-11/h4,7,9,12,15H,2-3,5-6,8,10,18H2,1H3
InChIKeyOXBMOFNFNDPUNP-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-cyclopropyl-1-[4-(dimethylamino)phenyl]ethane-1,2-diamine
CID 61441069
N-butyl-1-(3-chloro-5-fluorophenyl)-N-cyclopropylethane-1,2-diamine
CID 114453317
N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
CID 63208501
1-(3-chloro-4-fluorophenyl)-N-cyclopropyl-N-ethylethane-1,2-diamine
CID 81144895
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
N-cyclopropyl-1-(3,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 43270167
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3-chloro-4-methylphenyl)-N-cyclopropyl-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 106817441
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889
1-(3-bromofuran-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 106885648
1-(4-bromo-5-methylthiophen-2-yl)-N-butyl-N-cyclopropylethane-1,2-diamine
CID 102838731

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine (CID 61440583) is N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine is CCCCN(C1CC1)C(CN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
The InChIKey is OXBMOFNFNDPUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-3-8-19(12-5-6-12)15(10-18)11-4-7-13(16)14(17)9-11/h4,7,9,12,15H,2-3,5-6,8,10,18H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine?
N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine has a molecular weight of 301.26 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 61440583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).