N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine

C16H26N2O2 — CID 66259139

IUPACN-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-17-15-12-20-11-14(15)10-18(2)9-13-7-5-6-8-16(13)19-3/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyYRSDBFDQDQWOMU-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds7

About N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine

N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine (PubChem CID 66259139) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
PubChem CID66259139
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
SMILESCCNC1COCC1CN(C)Cc1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-17-15-12-20-11-14(15)10-18(2)9-13-7-5-6-8-16(13)19-3/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyYRSDBFDQDQWOMU-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66259533
N-ethyl-3-[[(3-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059827
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
CID 66259151
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-methyloxolan-3-amine
CID 66244984
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
N-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]oxolan-3-amine
CID 66245971
N-ethyl-4-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66259331
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736433
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine (CID 66259139) is N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine is CCNC1COCC1CN(C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine?
The InChIKey is YRSDBFDQDQWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-17-15-12-20-11-14(15)10-18(2)9-13-7-5-6-8-16(13)19-3/h5-8,14-15,17H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine?
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine is sourced from PubChem (CID 66259139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).