N-methyl-N-(phenoxymethyl)aniline

C14H15NO — CID 20818319

IUPACN-methyl-N-(phenoxymethyl)aniline
SMILESCN(COc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO/c1-15(13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyDAJBNHGWVWDSLK-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.16
Rot. Bonds4

About N-methyl-N-(phenoxymethyl)aniline

N-methyl-N-(phenoxymethyl)aniline (PubChem CID 20818319) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-methyl-N-(phenoxymethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(phenoxymethyl)aniline
PubChem CID20818319
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-methyl-N-(phenoxymethyl)aniline
SMILESCN(COc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15NO/c1-15(13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyDAJBNHGWVWDSLK-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
4-chloro-N-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]aniline
CID 141092250
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
4-[(N-methoxyanilino)methoxy]aniline
CID 141357019
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(phenoxymethyl)aniline?
The IUPAC name of N-methyl-N-(phenoxymethyl)aniline (CID 20818319) is N-methyl-N-(phenoxymethyl)aniline.
What is the SMILES notation for N-methyl-N-(phenoxymethyl)aniline?
The canonical SMILES for N-methyl-N-(phenoxymethyl)aniline is CN(COc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-(phenoxymethyl)aniline?
The InChIKey is DAJBNHGWVWDSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-15(13-8-4-2-5-9-13)12-16-14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-(phenoxymethyl)aniline?
N-methyl-N-(phenoxymethyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(phenoxymethyl)aniline is sourced from PubChem (CID 20818319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).