N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

C17H21BrN2O — CID 65379159

IUPACN-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H21BrN2O/c1-2-10-21-16-8-6-13(7-9-16)17(12-19)20-15-5-3-4-14(18)11-15/h3-9,11,17,20H,2,10,12,19H2,1H3
InChIKeyBECBOUAWDJDDRJ-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.35
Rot. Bonds7

About N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 65379159) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID65379159
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H21BrN2O/c1-2-10-21-16-8-6-13(7-9-16)17(12-19)20-15-5-3-4-14(18)11-15/h3-9,11,17,20H,2,10,12,19H2,1H3
InChIKeyBECBOUAWDJDDRJ-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

N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65385961
2-(3-bromophenyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 63413320
N-(3-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65378734
3-bromo-N-[(4-propoxyphenyl)methyl]aniline
CID 29054457
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 65379159) is N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is BECBOUAWDJDDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-10-21-16-8-6-13(7-9-16)17(12-19)20-15-5-3-4-14(18)11-15/h3-9,11,17,20H,2,10,12,19H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-(3-bromophenyl)-1-(4-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-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).