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

C15H23BrN2 — CID 39449548

IUPACN'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
SMILESNCCN(Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H23BrN2/c16-14-8-6-13(7-9-14)12-18(11-10-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2
InChIKeyBSTIAKSKBIKLKG-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.54
Rot. Bonds5

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

N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine (PubChem CID 39449548) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
PubChem CID39449548
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
SMILESNCCN(Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C15H23BrN2/c16-14-8-6-13(7-9-14)12-18(11-10-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2
InChIKeyBSTIAKSKBIKLKG-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
CID 80674380
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 102879102
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine (CID 39449548) is N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine is NCCN(Cc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine?
The InChIKey is BSTIAKSKBIKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c16-14-8-6-13(7-9-14)12-18(11-10-17)15-4-2-1-3-5-15/h6-9,15H,1-5,10-12,17H2.
What are the key properties of N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 39449548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).