N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine

C16H18BrClN2O — CID 104816416

IUPACN-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)Nc1cc(C)ccc1Br
InChIInChI=1S/C16H18BrClN2O/c1-10-6-7-11(17)13(8-10)20-14(9-19)16-12(18)4-3-5-15(16)21-2/h3-8,14,20H,9,19H2,1-2H3
InChIKeySYAXYWFTBKVLQZ-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.53
Rot. Bonds5

About N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine

N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine (PubChem CID 104816416) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
PubChem CID104816416
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC NameN-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(Cl)c1C(CN)Nc1cc(C)ccc1Br
InChIInChI=1S/C16H18BrClN2O/c1-10-6-7-11(17)13(8-10)20-14(9-19)16-12(18)4-3-5-15(16)21-2/h3-8,14,20H,9,19H2,1-2H3
InChIKeySYAXYWFTBKVLQZ-UHFFFAOYSA-N
XLogP4.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313
2-bromo-N-[1-(2-methoxyphenyl)propyl]-5-methylaniline
CID 82761842
N-(2-bromo-5-methylphenyl)-1-(3-bromophenyl)ethane-1,2-diamine
CID 82756852
N-(2-bromo-5-methylphenyl)-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 82756921
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
CID 82757533
1-(1-benzofuran-3-yl)-N-(2-bromo-5-methylphenyl)ethane-1,2-diamine
CID 82745916
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 82761585
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine (CID 104816416) is N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine is COc1cccc(Cl)c1C(CN)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is SYAXYWFTBKVLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-10-6-7-11(17)13(8-10)20-14(9-19)16-12(18)4-3-5-15(16)21-2/h3-8,14,20H,9,19H2,1-2H3.
What are the key properties of N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine?
N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 369.69 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-1-(2-chloro-6-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 104816416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).