1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine

C14H20BrClN2 — CID 83230033

IUPAC1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-13(16)12(15)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyGMMIEKBGTFYRLD-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.83
Rot. Bonds6

About 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine

1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine (PubChem CID 83230033) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
PubChem CID83230033
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-13(16)12(15)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyGMMIEKBGTFYRLD-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-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

1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63955133
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 83231113
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-ethylethane-1,2-diamine
CID 83231027
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
(1S)-1-(3-bromo-4-chlorophenyl)-2-cyclopropylethanamine
CID 130840491
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
1-(3-chloro-4-fluorophenyl)-N,N-diethylethane-1,2-diamine
CID 81145758

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine (CID 83230033) is 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine is CCN(CC1CC1)C(CN)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
The InChIKey is GMMIEKBGTFYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-2-18(9-10-3-4-10)14(8-17)11-5-6-13(16)12(15)7-11/h5-7,10,14H,2-4,8-9,17H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine?
1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine has a molecular weight of 331.69 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 83230033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).