N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine

C16H19BrN2 — CID 107582847

IUPACN-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H19BrN2/c1-11-3-5-13(6-4-11)16(10-18)19-15-8-12(2)7-14(17)9-15/h3-9,16,19H,10,18H2,1-2H3
InChIKeyPPFTURGMDANTSZ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.18
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine

N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 107582847) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID107582847
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H19BrN2/c1-11-3-5-13(6-4-11)16(10-18)19-15-8-12(2)7-14(17)9-15/h3-9,16,19H,10,18H2,1-2H3
InChIKeyPPFTURGMDANTSZ-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-1-(4-bromophenyl)ethane-1,2-diamine
CID 107582913
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
N-(3-bromo-5-methylphenyl)-1-(5-bromo-3-pyridinyl)ethane-1,2-diamine
CID 107582683
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
N-(3-bromo-5-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 107582876
3-bromo-N-[1-(4-chlorophenyl)propyl]-5-methylaniline
CID 107582181
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
1-(1-benzofuran-2-yl)-N-(3-bromo-5-methylphenyl)ethane-1,2-diamine
CID 107582891
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
N-(3-bromo-5-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 107582921

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine (CID 107582847) is N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)Nc2cc(C)cc(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is PPFTURGMDANTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-3-5-13(6-4-11)16(10-18)19-15-8-12(2)7-14(17)9-15/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine?
N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107582847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).