N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine

C16H18BrClN2O — CID 107619711

IUPACN-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C16H18BrClN2O/c1-2-21-13-5-3-4-11(8-13)16(10-19)20-12-6-7-14(17)15(18)9-12/h3-9,16,20H,2,10,19H2,1H3
InChIKeyOPJJYUNWFMWGDL-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.61
Rot. Bonds6

About N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine

N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 107619711) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
PubChem CID107619711
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(C(CN)Nc2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C16H18BrClN2O/c1-2-21-13-5-3-4-11(8-13)16(10-19)20-12-6-7-14(17)15(18)9-12/h3-9,16,20H,2,10,19H2,1H3
InChIKeyOPJJYUNWFMWGDL-UHFFFAOYSA-N
XLogP4.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
N-(3-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65376857
1-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 104721910
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
N-(4-bromo-3-chlorophenyl)-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 107619443
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383447
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
2-chloro-N-[1-(3-ethoxyphenyl)ethyl]pyridin-4-amine
CID 133360412
[2-(4-bromo-2-chlorophenyl)-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105191998
4-bromo-3-chloro-N-(3-methyl-1-phenylbutyl)aniline
CID 107618717

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine (CID 107619711) is N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine is CCOc1cccc(C(CN)Nc2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is OPJJYUNWFMWGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-2-21-13-5-3-4-11(8-13)16(10-19)20-12-6-7-14(17)15(18)9-12/h3-9,16,20H,2,10,19H2,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine?
N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 369.69 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107619711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).