N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine

C17H21BrN2O — CID 65384260

IUPACN-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)Nc2ccccc2Br)c1
InChIInChI=1S/C17H21BrN2O/c1-2-10-21-14-7-5-6-13(11-14)17(12-19)20-16-9-4-3-8-15(16)18/h3-9,11,17,20H,2,10,12,19H2,1H3
InChIKeyKGFCDXJZDYLAOF-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.35
Rot. Bonds7

About N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine

N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine (PubChem CID 65384260) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
PubChem CID65384260
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cccc(C(CN)Nc2ccccc2Br)c1
InChIInChI=1S/C17H21BrN2O/c1-2-10-21-14-7-5-6-13(11-14)17(12-19)20-16-9-4-3-8-15(16)18/h3-9,11,17,20H,2,10,12,19H2,1H3
InChIKeyKGFCDXJZDYLAOF-UHFFFAOYSA-N
XLogP4.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-2-(3-propoxyphenyl)acetonitrile
CID 62496139
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972
2-(2-fluoroanilino)-2-(3-propoxyphenyl)ethanol
CID 62500445
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65379159
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine (CID 65384260) is N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine is CCCOc1cccc(C(CN)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is KGFCDXJZDYLAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-10-21-14-7-5-6-13(11-14)17(12-19)20-16-9-4-3-8-15(16)18/h3-9,11,17,20H,2,10,12,19H2,1H3.
What are the key properties of N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine?
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 349.27 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).