2-[(E)-pent-2-en-3-yl]-N-phenylaniline

C17H19N — CID 101412091

IUPAC2-[(E)-pent-2-en-3-yl]-N-phenylaniline
SMILESC/C=C(\CC)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H19N/c1-3-14(4-2)16-12-8-9-13-17(16)18-15-10-6-5-7-11-15/h3,5-13,18H,4H2,1-2H3/b14-3+
InChIKeyHAXDVNRPKYAPRS-LZWSPWQCSA-N
MW237.35 g/mol
LogP5.24
Rot. Bonds4

About 2-[(E)-pent-2-en-3-yl]-N-phenylaniline

2-[(E)-pent-2-en-3-yl]-N-phenylaniline (PubChem CID 101412091) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(E)-pent-2-en-3-yl]-N-phenylaniline.

Molecular Properties

Compound Name2-[(E)-pent-2-en-3-yl]-N-phenylaniline
PubChem CID101412091
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-[(E)-pent-2-en-3-yl]-N-phenylaniline
SMILESC/C=C(\CC)c1ccccc1Nc1ccccc1
InChIInChI=1S/C17H19N/c1-3-14(4-2)16-12-8-9-13-17(16)18-15-10-6-5-7-11-15/h3,5-13,18H,4H2,1-2H3/b14-3+
InChIKeyHAXDVNRPKYAPRS-LZWSPWQCSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.35
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-anilinophenyl)methanone
CID 141301141
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
sodium;2-anilinobenzoic acid;formate
CID 174516679
2-[4-(diethylamino)anilino]benzoic acid
CID 63539200
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-(4-ethoxyanilino)benzoic acid
CID 15247418
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
CID 164824104
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
2-(4-ethylanilino)benzamide
CID 177472959
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-[4-[2-[4-(N-phenylanilino)phenyl]ethyl]anilino]benzoic acid
CID 22269829

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-2-en-3-yl]-N-phenylaniline?
The IUPAC name of 2-[(E)-pent-2-en-3-yl]-N-phenylaniline (CID 101412091) is 2-[(E)-pent-2-en-3-yl]-N-phenylaniline.
What is the SMILES notation for 2-[(E)-pent-2-en-3-yl]-N-phenylaniline?
The canonical SMILES for 2-[(E)-pent-2-en-3-yl]-N-phenylaniline is C/C=C(\CC)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[(E)-pent-2-en-3-yl]-N-phenylaniline?
The InChIKey is HAXDVNRPKYAPRS-LZWSPWQCSA-N. The full InChI is InChI=1S/C17H19N/c1-3-14(4-2)16-12-8-9-13-17(16)18-15-10-6-5-7-11-15/h3,5-13,18H,4H2,1-2H3/b14-3+.
What are the key properties of 2-[(E)-pent-2-en-3-yl]-N-phenylaniline?
2-[(E)-pent-2-en-3-yl]-N-phenylaniline has a molecular weight of 237.35 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-en-3-yl]-N-phenylaniline is sourced from PubChem (CID 101412091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).