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

C18H23BrN2 — CID 62879729

IUPAC2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
SMILESCN(Cc1ccc(Br)cc1)C(CN)CCc1ccccc1
InChIInChI=1S/C18H23BrN2/c1-21(14-16-7-10-17(19)11-8-16)18(13-20)12-9-15-5-3-2-4-6-15/h2-8,10-11,18H,9,12-14,20H2,1H3
InChIKeyJTCAZNJIXFALGI-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.84
Rot. Bonds7

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

2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine (PubChem CID 62879729) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
PubChem CID62879729
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
SMILESCN(Cc1ccc(Br)cc1)C(CN)CCc1ccccc1
InChIInChI=1S/C18H23BrN2/c1-21(14-16-7-10-17(19)11-8-16)18(13-20)12-9-15-5-3-2-4-6-15/h2-8,10-11,18H,9,12-14,20H2,1H3
InChIKeyJTCAZNJIXFALGI-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
2-N-[(4-bromophenyl)methyl]-2-N-methylhexane-1,2-diamine
CID 61415296
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
1-(4-bromophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 65484872
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-N-methyl-3-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65483135
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 54982725
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine (CID 62879729) is 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine is CN(Cc1ccc(Br)cc1)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine?
The InChIKey is JTCAZNJIXFALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-21(14-16-7-10-17(19)11-8-16)18(13-20)12-9-15-5-3-2-4-6-15/h2-8,10-11,18H,9,12-14,20H2,1H3.
What are the key properties of 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine?
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine has a molecular weight of 347.30 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 62879729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).