N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine

C15H24N2O — CID 62974266

IUPACN-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCCOC(C)C1
InChIInChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-13)15(11-16-2)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3
InChIKeyPZKKGBBZNUOQKU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine

N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine (PubChem CID 62974266) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
PubChem CID62974266
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCCOC(C)C1
InChIInChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-13)15(11-16-2)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3
InChIKeyPZKKGBBZNUOQKU-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N-methyl-1-[1-(1-phenylbutyl)piperidin-3-yl]methanamine
CID 61206343
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 63218346
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
(2S)-2-methyl-N-[(1R)-2-methylsulfonyl-1-phenylethyl]-1,4-oxazepane-4-carboxamide
CID 124614660
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-2-phenylacetonitrile
CID 124711957
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-2-phenylethanamine
CID 63193002

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine?
The IUPAC name of N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine (CID 62974266) is N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine is CNCC(c1ccccc1)N1CCCOC(C)C1.
What is the InChIKey of N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine?
The InChIKey is PZKKGBBZNUOQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-12-17(9-6-10-18-13)15(11-16-2)14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine?
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine is sourced from PubChem (CID 62974266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).