N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine

C17H28N2O — CID 103059842

IUPACN-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-18-17-8-9-20-13-16(17)12-19(3)11-15-7-5-6-14(2)10-15/h5-7,10,16-18H,4,8-9,11-13H2,1-3H3
InChIKeyGKQIYBHJRWRILS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.44
Rot. Bonds6

About N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine

N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine (PubChem CID 103059842) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
PubChem CID103059842
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-18-17-8-9-20-13-16(17)12-19(3)11-15-7-5-6-14(2)10-15/h5-7,10,16-18H,4,8-9,11-13H2,1-3H3
InChIKeyGKQIYBHJRWRILS-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
N-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 62610042
N-ethyl-3-[(4-ethyl-N-methylanilino)methyl]oxan-4-amine
CID 103059424
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
N-ethyl-3-[[methyl-(4-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 103059662
2-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]-N-propylcyclopentan-1-amine
CID 79577299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine (CID 103059842) is N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine is CCNC1CCOCC1CN(C)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine?
The InChIKey is GKQIYBHJRWRILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-17-8-9-20-13-16(17)12-19(3)11-15-7-5-6-14(2)10-15/h5-7,10,16-18H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine?
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine is sourced from PubChem (CID 103059842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).