2-phenoxy-N-(piperidin-2-ylmethyl)aniline

C18H22N2O — CID 106632819

IUPAC2-phenoxy-N-(piperidin-2-ylmethyl)aniline
SMILESc1ccc(Oc2ccccc2NCC2CCCCN2)cc1
InChIInChI=1S/C18H22N2O/c1-2-9-16(10-3-1)21-18-12-5-4-11-17(18)20-14-15-8-6-7-13-19-15/h1-5,9-12,15,19-20H,6-8,13-14H2
InChIKeyAZOGKRHMLWZCRR-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.03
Rot. Bonds5

About 2-phenoxy-N-(piperidin-2-ylmethyl)aniline

2-phenoxy-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106632819) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-phenoxy-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-phenoxy-N-(piperidin-2-ylmethyl)aniline
PubChem CID106632819
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-phenoxy-N-(piperidin-2-ylmethyl)aniline
SMILESc1ccc(Oc2ccccc2NCC2CCCCN2)cc1
InChIInChI=1S/C18H22N2O/c1-2-9-16(10-3-1)21-18-12-5-4-11-17(18)20-14-15-8-6-7-13-19-15/h1-5,9-12,15,19-20H,6-8,13-14H2
InChIKeyAZOGKRHMLWZCRR-UHFFFAOYSA-N
XLogP4.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
3-[5-phenyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]phenoxy]benzonitrile
CID 52935661
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
methyl 3-[5-phenyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]phenoxy]benzoate
CID 52935878
2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637775
N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119680345
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 2-phenoxy-N-(piperidin-2-ylmethyl)aniline (CID 106632819) is 2-phenoxy-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-phenoxy-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 2-phenoxy-N-(piperidin-2-ylmethyl)aniline is c1ccc(Oc2ccccc2NCC2CCCCN2)cc1.
What is the InChIKey of 2-phenoxy-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is AZOGKRHMLWZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-9-16(10-3-1)21-18-12-5-4-11-17(18)20-14-15-8-6-7-13-19-15/h1-5,9-12,15,19-20H,6-8,13-14H2.
What are the key properties of 2-phenoxy-N-(piperidin-2-ylmethyl)aniline?
2-phenoxy-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 282.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106632819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).