1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine

C15H24BrClN2O — CID 83230949

IUPAC1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H24BrClN2O/c1-4-11(2)19(7-8-20-3)15(10-18)12-5-6-14(17)13(16)9-12/h5-6,9,11,15H,4,7-8,10,18H2,1-3H3
InChIKeyWNHOOCWRFWCUPE-UHFFFAOYSA-N
MW363.73 g/mol
LogP3.85
Rot. Bonds8

About 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine

1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 83230949) has the molecular formula C15H24BrClN2O and a molecular weight of 363.73 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID83230949
Molecular FormulaC15H24BrClN2O
Molecular Weight363.73 g/mol
Exact Mass362.08
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)C(CN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H24BrClN2O/c1-4-11(2)19(7-8-20-3)15(10-18)12-5-6-14(17)13(16)9-12/h5-6,9,11,15H,4,7-8,10,18H2,1-3H3
InChIKeyWNHOOCWRFWCUPE-UHFFFAOYSA-N
XLogP3.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)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

1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-ethylethane-1,2-diamine
CID 83231027
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
1-(5-bromothiophen-2-yl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 55000952
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
1-(3-bromo-4-fluorophenyl)-N-butan-2-yl-N-butylethane-1,2-diamine
CID 63465037
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 83230949) is 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine is CCC(C)N(CCOC)C(CN)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is WNHOOCWRFWCUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrClN2O/c1-4-11(2)19(7-8-20-3)15(10-18)12-5-6-14(17)13(16)9-12/h5-6,9,11,15H,4,7-8,10,18H2,1-3H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 363.73 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 83230949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).