1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine

C15H26BrN3O — CID 65383976

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H26BrN3O/c1-4-19(5-2)9-8-18-14(11-17)12-6-7-15(20-3)13(16)10-12/h6-7,10,14,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyGSDMXDMNWMUCDJ-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.39
Rot. Bonds9

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

1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine (PubChem CID 65383976) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
PubChem CID65383976
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H26BrN3O/c1-4-19(5-2)9-8-18-14(11-17)12-6-7-15(20-3)13(16)10-12/h6-7,10,14,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyGSDMXDMNWMUCDJ-UHFFFAOYSA-N
XLogP2.39
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65383347
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
1-(3-bromo-4-methoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383655
N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65383358
N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113457103
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine (CID 65383976) is 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine is CCN(CC)CCNC(CN)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is GSDMXDMNWMUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-4-19(5-2)9-8-18-14(11-17)12-6-7-15(20-3)13(16)10-12/h6-7,10,14,18H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine?
1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 344.30 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 65383976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).