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

C15H23BrN2 — CID 79115581

IUPAC4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(Cc1ccccc1Br)C1CCC(N)CC1
InChIInChI=1S/C15H23BrN2/c1-2-18(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16/h3-6,13-14H,2,7-11,17H2,1H3
InChIKeyOVPTTZDTXVSJMF-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.54
Rot. Bonds4

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

4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79115581) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79115581
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(Cc1ccccc1Br)C1CCC(N)CC1
InChIInChI=1S/C15H23BrN2/c1-2-18(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16/h3-6,13-14H,2,7-11,17H2,1H3
InChIKeyOVPTTZDTXVSJMF-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclopropanamine
CID 43263914
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine (CID 79115581) is 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine is CCN(Cc1ccccc1Br)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is OVPTTZDTXVSJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-18(14-9-7-13(17)8-10-14)11-12-5-3-4-6-15(12)16/h3-6,13-14H,2,7-11,17H2,1H3.
What are the key properties of 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine?
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79115581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).