N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine

C17H28N2O2 — CID 103059827

IUPACN-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-17-8-9-21-13-15(17)12-19(2)11-14-6-5-7-16(10-14)20-3/h5-7,10,15,17-18H,4,8-9,11-13H2,1-3H3
InChIKeyXIYXLABABXCCMZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.14
Rot. Bonds7

About N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine

N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine (PubChem CID 103059827) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
PubChem CID103059827
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-18-17-8-9-21-13-15(17)12-19(2)11-14-6-5-7-16(10-14)20-3/h5-7,10,15,17-18H,4,8-9,11-13H2,1-3H3
InChIKeyXIYXLABABXCCMZ-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
N-ethyl-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 79577305
N-ethyl-3-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]oxan-4-amine
CID 103060638
3-[[benzyl(propan-2-yl)amino]methyl]-N-ethyloxan-4-amine
CID 103058468
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 103061404
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 66259139
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-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine (CID 103059827) is N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine is CCNC1CCOCC1CN(C)Cc1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
The InChIKey is XIYXLABABXCCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-18-17-8-9-21-13-15(17)12-19(2)11-14-6-5-7-16(10-14)20-3/h5-7,10,15,17-18H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine?
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine is sourced from PubChem (CID 103059827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).