1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

C14H23BrN2O — CID 82948358

IUPAC1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyVJHWJFOPZPDYCJ-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.81
Rot. Bonds7

About 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82948358) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82948358
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyVJHWJFOPZPDYCJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-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-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 82948289
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83230949
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949237
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
1-(4-bromo-3-methylphenyl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 66475033
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (CID 82948358) is 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is COCCN(C(C)C)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is VJHWJFOPZPDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-11(2)17(8-9-18-3)14(10-16)12-4-6-13(15)7-5-12/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82948358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).