N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine

C17H28N2O2 — CID 63706671

IUPACN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
SMILESCNCc1cccc(OCCN(C)CC2CCOCC2)c1
InChIInChI=1S/C17H28N2O2/c1-18-13-16-4-3-5-17(12-16)21-11-8-19(2)14-15-6-9-20-10-7-15/h3-5,12,15,18H,6-11,13-14H2,1-2H3
InChIKeyNRDNABFCNBVAAI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.14
Rot. Bonds8

About N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine

N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 63706671) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID63706671
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
SMILESCNCc1cccc(OCCN(C)CC2CCOCC2)c1
InChIInChI=1S/C17H28N2O2/c1-18-13-16-4-3-5-17(12-16)21-11-8-19(2)14-15-6-9-20-10-7-15/h3-5,12,15,18H,6-11,13-14H2,1-2H3
InChIKeyNRDNABFCNBVAAI-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62436955
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
CID 91844313
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109382384
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
1-(cyclopropylmethyl)-2-methyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111868180
2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine (CID 63706671) is N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine is CNCc1cccc(OCCN(C)CC2CCOCC2)c1.
What is the InChIKey of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is NRDNABFCNBVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-18-13-16-4-3-5-17(12-16)21-11-8-19(2)14-15-6-9-20-10-7-15/h3-5,12,15,18H,6-11,13-14H2,1-2H3.
What are the key properties of N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine?
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 63706671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).