1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C15H23BrN2O — CID 55258429

IUPAC1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)CC2CC2C)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-10-6-12(10)9-18(2)14(8-17)11-4-5-15(19-3)13(16)7-11/h4-5,7,10,12,14H,6,8-9,17H2,1-3H3
InChIKeyHLGZBZNYSHGULD-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.05
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 55258429) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID55258429
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)CC2CC2C)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-10-6-12(10)9-18(2)14(8-17)11-4-5-15(19-3)13(16)7-11/h4-5,7,10,12,14H,6,8-9,17H2,1-3H3
InChIKeyHLGZBZNYSHGULD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
1-(3-bromo-4-methoxyphenyl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 61444308
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303265
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81059413
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 54904858
1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63878552
1-(2,3-dimethoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879579
1-(3-bromo-4-methoxyphenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865178
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
N-(cyclobutylmethyl)-1-(3,4-dibromophenyl)-N-methylethane-1,2-diamine
CID 114077367
1-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948862

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 55258429) is 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is COc1ccc(C(CN)N(C)CC2CC2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is HLGZBZNYSHGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-6-12(10)9-18(2)14(8-17)11-4-5-15(19-3)13(16)7-11/h4-5,7,10,12,14H,6,8-9,17H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 327.27 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 55258429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).