1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine

C15H25BrN2O2 — CID 81059414

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)CCOC(C)C
InChIInChI=1S/C15H25BrN2O2/c1-11(2)20-8-7-18(3)14(10-17)13-9-12(16)5-6-15(13)19-4/h5-6,9,11,14H,7-8,10,17H2,1-4H3
InChIKeyWOUAQOBKEKUVRW-UHFFFAOYSA-N
MW345.28 g/mol
LogP2.81
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine (PubChem CID 81059414) has the molecular formula C15H25BrN2O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
PubChem CID81059414
Molecular FormulaC15H25BrN2O2
Molecular Weight345.28 g/mol
Exact Mass344.11
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)cc1C(CN)N(C)CCOC(C)C
InChIInChI=1S/C15H25BrN2O2/c1-11(2)20-8-7-18(3)14(10-17)13-9-12(16)5-6-15(13)19-4/h5-6,9,11,14H,7-8,10,17H2,1-4H3
InChIKeyWOUAQOBKEKUVRW-UHFFFAOYSA-N
XLogP2.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-butyl-N-methylethane-1,2-diamine
CID 43141158
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81059413
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571921
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658610
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
1-(5-bromo-2-methoxyphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913502
2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
CID 103376821
1-[3-(difluoromethyl)phenyl]-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 115526957
1-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
N-[(3-bromophenyl)methyl]-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415283

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine (CID 81059414) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine is COc1ccc(Br)cc1C(CN)N(C)CCOC(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
The InChIKey is WOUAQOBKEKUVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2/c1-11(2)20-8-7-18(3)14(10-17)13-9-12(16)5-6-15(13)19-4/h5-6,9,11,14H,7-8,10,17H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine has a molecular weight of 345.28 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 81059414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).