1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

C14H22BrClN2O — CID 82948577

IUPAC1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H22BrClN2O/c1-10(2)18(6-7-19-3)14(9-17)12-8-11(16)4-5-13(12)15/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyFMINXBKOOMVSAQ-UHFFFAOYSA-N
MW349.70 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine

1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 82948577) has the molecular formula C14H22BrClN2O and a molecular weight of 349.70 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID82948577
Molecular FormulaC14H22BrClN2O
Molecular Weight349.70 g/mol
Exact Mass348.06
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H22BrClN2O/c1-10(2)18(6-7-19-3)14(9-17)12-8-11(16)4-5-13(12)15/h4-5,8,10,14H,6-7,9,17H2,1-3H3
InChIKeyFMINXBKOOMVSAQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948769
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 66158412
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66158415
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 66158220
1-(4-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82947962
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948358
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
CID 66157032
1-(4-fluoro-2-methylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949339
1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82949237
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine (CID 82948577) is 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is COCCN(C(C)C)C(CN)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is FMINXBKOOMVSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2O/c1-10(2)18(6-7-19-3)14(9-17)12-8-11(16)4-5-13(12)15/h4-5,8,10,14H,6-7,9,17H2,1-3H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine?
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 349.70 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 82948577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).