N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

C16H26N2O2 — CID 63739803

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2(CN)CCCOC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(10-14-4-6-15(19-2)7-5-14)12-16(11-17)8-3-9-20-13-16/h4-7H,3,8-13,17H2,1-2H3
InChIKeyGQJPDCAQDJZSPD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.88
Rot. Bonds6

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (PubChem CID 63739803) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
PubChem CID63739803
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CC2(CN)CCCOC2)cc1
InChIInChI=1S/C16H26N2O2/c1-18(10-14-4-6-15(19-2)7-5-14)12-16(11-17)8-3-9-20-13-16/h4-7H,3,8-13,17H2,1-2H3
InChIKeyGQJPDCAQDJZSPD-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 62392054
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 62392345
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65496384
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
[3-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]oxan-3-yl]methanol
CID 63747607
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine (CID 63739803) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is COc1ccc(CN(C)CC2(CN)CCCOC2)cc1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is GQJPDCAQDJZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(10-14-4-6-15(19-2)7-5-14)12-16(11-17)8-3-9-20-13-16/h4-7H,3,8-13,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63739803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).