5-methyl-3-phenylmethoxyazepane

C14H21NO — CID 123477831

IUPAC5-methyl-3-phenylmethoxyazepane
SMILESCC1CCNCC(OCc2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyMYGZQNRRGBOMRP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds3

About 5-methyl-3-phenylmethoxyazepane

5-methyl-3-phenylmethoxyazepane (PubChem CID 123477831) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methyl-3-phenylmethoxyazepane.

Molecular Properties

Compound Name5-methyl-3-phenylmethoxyazepane
PubChem CID123477831
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-methyl-3-phenylmethoxyazepane
SMILESCC1CCNCC(OCc2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3
InChIKeyMYGZQNRRGBOMRP-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-phenylmethoxyazepane
CID 63716383
5-methylidene-3-phenylmethoxyazepane
CID 144890570
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
methylcyclobutane;4-phenylmethoxypyrrolidine-2-carbonitrile
CID 155739038
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylmethoxyazepane?
The IUPAC name of 5-methyl-3-phenylmethoxyazepane (CID 123477831) is 5-methyl-3-phenylmethoxyazepane.
What is the SMILES notation for 5-methyl-3-phenylmethoxyazepane?
The canonical SMILES for 5-methyl-3-phenylmethoxyazepane is CC1CCNCC(OCc2ccccc2)C1.
What is the InChIKey of 5-methyl-3-phenylmethoxyazepane?
The InChIKey is MYGZQNRRGBOMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-7-8-15-10-14(9-12)16-11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3.
What are the key properties of 5-methyl-3-phenylmethoxyazepane?
5-methyl-3-phenylmethoxyazepane has a molecular weight of 219.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylmethoxyazepane is sourced from PubChem (CID 123477831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).