N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine

C17H27NO3 — CID 62386201

IUPACN-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CNC)c(OCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-3-8-20-16-5-4-15(12-18-2)17(11-16)21-13-14-6-9-19-10-7-14/h4-5,11,14,18H,3,6-10,12-13H2,1-2H3
InChIKeyQITIUZOAZJZYRV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds8

About N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine

N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine (PubChem CID 62386201) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
PubChem CID62386201
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
SMILESCCCOc1ccc(CNC)c(OCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-3-8-20-16-5-4-15(12-18-2)17(11-16)21-13-14-6-9-19-10-7-14/h4-5,11,14,18H,3,6-10,12-13H2,1-2H3
InChIKeyQITIUZOAZJZYRV-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62385101
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine (CID 62386201) is N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine is CCCOc1ccc(CNC)c(OCC2CCOCC2)c1.
What is the InChIKey of N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine?
The InChIKey is QITIUZOAZJZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-8-20-16-5-4-15(12-18-2)17(11-16)21-13-14-6-9-19-10-7-14/h4-5,11,14,18H,3,6-10,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine?
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine is sourced from PubChem (CID 62386201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).