N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline

C16H17NO — CID 13250447

IUPACN-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline
SMILESC/C(=C\Oc1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C16H17NO/c1-14(13-18-16-11-7-4-8-12-16)17(2)15-9-5-3-6-10-15/h3-13H,1-2H3/b14-13+
InChIKeyHZUMNIUAWFPQEU-BUHFOSPRSA-N
MW239.32 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline

N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline (PubChem CID 13250447) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline
PubChem CID13250447
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline
SMILESC/C(=C\Oc1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C16H17NO/c1-14(13-18-16-11-7-4-8-12-16)17(2)15-9-5-3-6-10-15/h3-13H,1-2H3/b14-13+
InChIKeyHZUMNIUAWFPQEU-BUHFOSPRSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
CID 176922442
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
ethene;N-methyl-N-phenylaniline
CID 144541479
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
trimethyl-(2-phenoxy-1-trimethylsilyloxyethenoxy)silane
CID 11289466
(1-methoxy-2-phenoxyethenyl)benzene
CID 164530223
N-(2-ethylphenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 67542311
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
formic acid;methyl(phenyl)carbamic acid
CID 161284118
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline?
The IUPAC name of N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline (CID 13250447) is N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline.
What is the SMILES notation for N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline?
The canonical SMILES for N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline is C/C(=C\Oc1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline?
The InChIKey is HZUMNIUAWFPQEU-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H17NO/c1-14(13-18-16-11-7-4-8-12-16)17(2)15-9-5-3-6-10-15/h3-13H,1-2H3/b14-13+.
What are the key properties of N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline?
N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline has a molecular weight of 239.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline is sourced from PubChem (CID 13250447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).