4-[(Z)-1-phenylmethoxybut-1-enyl]aniline

C17H19NO — CID 144763073

IUPAC4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
SMILESCC/C=C(\OCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H19NO/c1-2-6-17(15-9-11-16(18)12-10-15)19-13-14-7-4-3-5-8-14/h3-12H,2,13,18H2,1H3/b17-6-
InChIKeyRWXRNMBCXIBXHO-FMQZQXMHSA-N
MW253.35 g/mol
LogP4.24
Rot. Bonds5

About 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline

4-[(Z)-1-phenylmethoxybut-1-enyl]aniline (PubChem CID 144763073) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
PubChem CID144763073
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
SMILESCC/C=C(\OCc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C17H19NO/c1-2-6-17(15-9-11-16(18)12-10-15)19-13-14-7-4-3-5-8-14/h3-12H,2,13,18H2,1H3/b17-6-
InChIKeyRWXRNMBCXIBXHO-FMQZQXMHSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
CID 139666701
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768490
4-(phenylmethoxymethyl)aniline
CID 11701294
benzyl pyridine-3-carboxylate;ethyl 4-aminobenzoate
CID 174833774
methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
4-phenylmethoxyaniline
CID 159966727
(E)-3-phenylmethoxypent-2-enal
CID 10821515
benzyl (2R)-2-amino-2-(4-aminobenzoyl)-4-methylpentanoate
CID 174587968
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-amino-3-hydroxypentanoate
CID 68991672

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline?
The IUPAC name of 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline (CID 144763073) is 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline.
What is the SMILES notation for 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline?
The canonical SMILES for 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline is CC/C=C(\OCc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline?
The InChIKey is RWXRNMBCXIBXHO-FMQZQXMHSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-17(15-9-11-16(18)12-10-15)19-13-14-7-4-3-5-8-14/h3-12H,2,13,18H2,1H3/b17-6-.
What are the key properties of 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline?
4-[(Z)-1-phenylmethoxybut-1-enyl]aniline has a molecular weight of 253.35 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-phenylmethoxybut-1-enyl]aniline is sourced from PubChem (CID 144763073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).