N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

C18H23BrN2 — CID 61416089

IUPACN-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccccc2Br)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-13-8-9-16(14(2)10-13)18(11-20)21(3)12-15-6-4-5-7-17(15)19/h4-10,18H,11-12,20H2,1-3H3
InChIKeyDXNLICSIIVELSW-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.20
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 61416089) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID61416089
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2ccccc2Br)c(C)c1
InChIInChI=1S/C18H23BrN2/c1-13-8-9-16(14(2)10-13)18(11-20)21(3)12-15-6-4-5-7-17(15)19/h4-10,18H,11-12,20H2,1-3H3
InChIKeyDXNLICSIIVELSW-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879248
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
1-(3-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 105404788
1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163608
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (CID 61416089) is N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2ccccc2Br)c(C)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is DXNLICSIIVELSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13-8-9-16(14(2)10-13)18(11-20)21(3)12-15-6-4-5-7-17(15)19/h4-10,18H,11-12,20H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 347.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 61416089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).