N-(1-phenoxyethyl)aniline

C14H15NO — CID 21395897

IUPACN-(1-phenoxyethyl)aniline
SMILESCC(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKeyBUKVFENUKGJVCB-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.52
Rot. Bonds4

About N-(1-phenoxyethyl)aniline

N-(1-phenoxyethyl)aniline (PubChem CID 21395897) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-phenoxyethyl)aniline.

Molecular Properties

Compound NameN-(1-phenoxyethyl)aniline
PubChem CID21395897
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(1-phenoxyethyl)aniline
SMILESCC(Nc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H15NO/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKeyBUKVFENUKGJVCB-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
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

N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063
N-[1-(1-methoxyethoxy)ethyl]aniline
CID 89281099
N-(1-propoxyethyl)aniline
CID 173276827
1-methoxyethoxybenzene
CID 18188895
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
1-(4-methoxyanilino)-1-phenoxypropan-2-ol
CID 135372336
dimethyl(diphenoxy)phosphanium
CID 118068912
N-(3-methylbutan-2-yl)-4-phenoxyaniline
CID 43111618
N-methyl-2-phenoxypropanamide
CID 4626974
2-anilino-2-(4-propan-2-yloxyphenyl)ethanol
CID 61047340

Frequently Asked Questions

What is the IUPAC name of N-(1-phenoxyethyl)aniline?
The IUPAC name of N-(1-phenoxyethyl)aniline (CID 21395897) is N-(1-phenoxyethyl)aniline.
What is the SMILES notation for N-(1-phenoxyethyl)aniline?
The canonical SMILES for N-(1-phenoxyethyl)aniline is CC(Nc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-(1-phenoxyethyl)aniline?
The InChIKey is BUKVFENUKGJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15H,1H3.
What are the key properties of N-(1-phenoxyethyl)aniline?
N-(1-phenoxyethyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenoxyethyl)aniline is sourced from PubChem (CID 21395897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).