N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine

C18H30N2 — CID 62413781

IUPACN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-19-13-17-11-7-8-12-18(17)15-20(2)14-16-9-5-4-6-10-16/h7-8,11-12,16,19H,3-6,9-10,13-15H2,1-2H3
InChIKeyXVJHSZUIDQUMKL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds7

About N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine

N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62413781) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62413781
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)CC1CCCCC1
InChIInChI=1S/C18H30N2/c1-3-19-13-17-11-7-8-12-18(17)15-20(2)14-16-9-5-4-6-10-16/h7-8,11-12,16,19H,3-6,9-10,13-15H2,1-2H3
InChIKeyXVJHSZUIDQUMKL-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115464114
3-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 63633007
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine (CID 62413781) is N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN(C)CC1CCCCC1.
What is the InChIKey of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is XVJHSZUIDQUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-19-13-17-11-7-8-12-18(17)15-20(2)14-16-9-5-4-6-10-16/h7-8,11-12,16,19H,3-6,9-10,13-15H2,1-2H3.
What are the key properties of N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62413781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).