N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine

C23H30N2O2 — CID 142934649

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
SMILESNCc1ccc(CN(Cc2ccc3c(c2)OCO3)CC2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c24-13-18-6-8-20(9-7-18)15-25(14-19-4-2-1-3-5-19)16-21-10-11-22-23(12-21)27-17-26-22/h6-12,19H,1-5,13-17,24H2
InChIKeyMOXGGAFNMCEJLW-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.46
Rot. Bonds7

About N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine

N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine (PubChem CID 142934649) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
PubChem CID142934649
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine
SMILESNCc1ccc(CN(Cc2ccc3c(c2)OCO3)CC2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c24-13-18-6-8-20(9-7-18)15-25(14-19-4-2-1-3-5-19)16-21-10-11-22-23(12-21)27-17-26-22/h6-12,19H,1-5,13-17,24H2
InChIKeyMOXGGAFNMCEJLW-UHFFFAOYSA-N
XLogP4.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23824329
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119931611
3-[[1,3-benzodioxol-5-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818588
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
CID 120751745
1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
CID 83229225
[4-[[cyclohexylmethyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934414
1,3-benzodioxol-5-ylmethyl 2-cyclopentylacetate
CID 55313867
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine (CID 142934649) is N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine is NCc1ccc(CN(Cc2ccc3c(c2)OCO3)CC2CCCCC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine?
The InChIKey is MOXGGAFNMCEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c24-13-18-6-8-20(9-7-18)15-25(14-19-4-2-1-3-5-19)16-21-10-11-22-23(12-21)27-17-26-22/h6-12,19H,1-5,13-17,24H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine has a molecular weight of 366.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylmethanamine is sourced from PubChem (CID 142934649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).