N-(2-methoxy-1-phenylprop-2-enyl)aniline

C16H17NO — CID 101212442

IUPACN-(2-methoxy-1-phenylprop-2-enyl)aniline
SMILESC=C(OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(18-2)16(14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3
InChIKeyZSKQBNLSIXXKBL-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.00
Rot. Bonds5

About N-(2-methoxy-1-phenylprop-2-enyl)aniline

N-(2-methoxy-1-phenylprop-2-enyl)aniline (PubChem CID 101212442) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylprop-2-enyl)aniline.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylprop-2-enyl)aniline
PubChem CID101212442
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(2-methoxy-1-phenylprop-2-enyl)aniline
SMILESC=C(OC)C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-13(18-2)16(14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3
InChIKeyZSKQBNLSIXXKBL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-anilino-3-oxo-4-phenylbutanoate
CID 15062728
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
ethyl 2-[(R)-anilino(phenyl)methyl]prop-2-enoate
CID 102132707
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2S)-2-anilino-2-phenylacetate
CID 6993805
methyl 2-[(R)-anilino-(3-methylphenyl)methyl]prop-2-enoate
CID 132560929
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
methyl 2-[(R)-(4-ethynylanilino)-phenylmethyl]prop-2-enoate
CID 154719271
methyl 4-(2-amino-1-anilino-2-oxoethyl)benzoate
CID 61005608
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-[(R)-anilino-(4-phenylmethoxyphenyl)methyl]prop-2-enoate
CID 132560936

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylprop-2-enyl)aniline?
The IUPAC name of N-(2-methoxy-1-phenylprop-2-enyl)aniline (CID 101212442) is N-(2-methoxy-1-phenylprop-2-enyl)aniline.
What is the SMILES notation for N-(2-methoxy-1-phenylprop-2-enyl)aniline?
The canonical SMILES for N-(2-methoxy-1-phenylprop-2-enyl)aniline is C=C(OC)C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylprop-2-enyl)aniline?
The InChIKey is ZSKQBNLSIXXKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(18-2)16(14-9-5-3-6-10-14)17-15-11-7-4-8-12-15/h3-12,16-17H,1H2,2H3.
What are the key properties of N-(2-methoxy-1-phenylprop-2-enyl)aniline?
N-(2-methoxy-1-phenylprop-2-enyl)aniline has a molecular weight of 239.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylprop-2-enyl)aniline is sourced from PubChem (CID 101212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).