1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

C15H23BrN2O — CID 43568967

IUPAC1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)C(C)C1CC1
InChIInChI=1S/C15H23BrN2O/c1-10(11-4-5-11)18(2)14(9-17)13-8-12(16)6-7-15(13)19-3/h6-8,10-11,14H,4-5,9,17H2,1-3H3
InChIKeyZWESWQHPPFHKHA-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.19
Rot. Bonds6

About 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine

1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (PubChem CID 43568967) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
PubChem CID43568967
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)C(C)C1CC1
InChIInChI=1S/C15H23BrN2O/c1-10(11-4-5-11)18(2)14(9-17)13-8-12(16)6-7-15(13)19-3/h6-8,10-11,14H,4-5,9,17H2,1-3H3
InChIKeyZWESWQHPPFHKHA-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
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1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81059414
1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
1-(5-bromo-2-methoxyphenyl)-N-butyl-N-methylethane-1,2-diamine
CID 43141158
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4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
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N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 43568902
4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094246
1-(5-bromo-2-methoxyphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913502
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine (CID 43568967) is 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is COc1ccc(Br)cc1C(CN)N(C)C(C)C1CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
The InChIKey is ZWESWQHPPFHKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(11-4-5-11)18(2)14(9-17)13-8-12(16)6-7-15(13)19-3/h6-8,10-11,14H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine?
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine has a molecular weight of 327.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).