N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine

C13H19NO2 — CID 171418961

IUPACN-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
SMILESCNCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C13H19NO2/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyYTFMLYNISWWHLT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine

N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine (PubChem CID 171418961) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
PubChem CID171418961
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
SMILESCNCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C13H19NO2/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKeyYTFMLYNISWWHLT-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
lithium 2-(phenoxy)oxane
CID 22133362
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[4-(4,4-dimethylhexan-3-yl)phenoxy]oxane
CID 123479898

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine (CID 171418961) is N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine is CNCc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine?
The InChIKey is YTFMLYNISWWHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,13-14H,2-4,9-10H2,1H3.
What are the key properties of N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine?
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 171418961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).