4-[3-[(Z)-prop-1-enyl]phenyl]aniline

C15H15N — CID 170153555

IUPAC4-[3-[(Z)-prop-1-enyl]phenyl]aniline
SMILESC/C=C\c1cccc(-c2ccc(N)cc2)c1
InChIInChI=1S/C15H15N/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-11H,16H2,1H3/b4-2-
InChIKeyIGNIDXDDUGAMRS-RQOWECAXSA-N
MW209.29 g/mol
LogP3.97
Rot. Bonds2

About 4-[3-[(Z)-prop-1-enyl]phenyl]aniline

4-[3-[(Z)-prop-1-enyl]phenyl]aniline (PubChem CID 170153555) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[3-[(Z)-prop-1-enyl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-[(Z)-prop-1-enyl]phenyl]aniline
PubChem CID170153555
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-[3-[(Z)-prop-1-enyl]phenyl]aniline
SMILESC/C=C\c1cccc(-c2ccc(N)cc2)c1
InChIInChI=1S/C15H15N/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-11H,16H2,1H3/b4-2-
InChIKeyIGNIDXDDUGAMRS-RQOWECAXSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(Z)-prop-1-enyl]phenyl]aniline?
The IUPAC name of 4-[3-[(Z)-prop-1-enyl]phenyl]aniline (CID 170153555) is 4-[3-[(Z)-prop-1-enyl]phenyl]aniline.
What is the SMILES notation for 4-[3-[(Z)-prop-1-enyl]phenyl]aniline?
The canonical SMILES for 4-[3-[(Z)-prop-1-enyl]phenyl]aniline is C/C=C\c1cccc(-c2ccc(N)cc2)c1.
What is the InChIKey of 4-[3-[(Z)-prop-1-enyl]phenyl]aniline?
The InChIKey is IGNIDXDDUGAMRS-RQOWECAXSA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-12-5-3-6-14(11-12)13-7-9-15(16)10-8-13/h2-11H,16H2,1H3/b4-2-.
What are the key properties of 4-[3-[(Z)-prop-1-enyl]phenyl]aniline?
4-[3-[(Z)-prop-1-enyl]phenyl]aniline has a molecular weight of 209.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(Z)-prop-1-enyl]phenyl]aniline is sourced from PubChem (CID 170153555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).