N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine

C15H23NO — CID 80685072

IUPACN-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C15H23NO/c1-15(10-6-7-11-17-15)14(16-2)12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyJRVDOBXNNFLOMD-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine

N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine (PubChem CID 80685072) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
PubChem CID80685072
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1(C)CCCCO1
InChIInChI=1S/C15H23NO/c1-15(10-6-7-11-17-15)14(16-2)12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3
InChIKeyJRVDOBXNNFLOMD-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
CID 80684297
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050468
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
[1-(2-methyloxolan-2-yl)-4-phenylbutyl]hydrazine
CID 105250664
[1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethyl]hydrazine
CID 105256213

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine (CID 80685072) is N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine is CNC(Cc1ccccc1)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine?
The InChIKey is JRVDOBXNNFLOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(10-6-7-11-17-15)14(16-2)12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine?
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine is sourced from PubChem (CID 80685072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).