4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline

C19H19N — CID 102375519

IUPAC4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline
SMILESCC/C(C)=C(\C#Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C19H19N/c1-3-15(2)19(17-7-5-4-6-8-17)14-11-16-9-12-18(20)13-10-16/h4-10,12-13H,3,20H2,1-2H3/b19-15+
InChIKeyONDGBXNEVZDCSE-XDJHFCHBSA-N
MW261.37 g/mol
LogP4.50
Rot. Bonds2

About 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline

4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline (PubChem CID 102375519) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline.

Molecular Properties

Compound Name4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline
PubChem CID102375519
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline
SMILESCC/C(C)=C(\C#Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C19H19N/c1-3-15(2)19(17-7-5-4-6-8-17)14-11-16-9-12-18(20)13-10-16/h4-10,12-13H,3,20H2,1-2H3/b19-15+
InChIKeyONDGBXNEVZDCSE-XDJHFCHBSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
[(Z)-4-methylhex-3-en-3-yl]benzene
CID 142361639
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
ethyl 3-(4-aminophenyl)prop-2-ynoate
CID 20525747
(2,7-dimethyl-6-phenylocta-2,6-dien-4-yn-3-yl)benzene
CID 625338
aniline;ethanol
CID 22137766
1-[4-[2-(4-phenylphenyl)ethynyl]phenyl]propan-1-one
CID 139662703
aniline;ethane;2-methylprop-1-ene
CID 123218647
1-(4-aminophenyl)propan-1-one
CID 6270
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline?
The IUPAC name of 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline (CID 102375519) is 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline.
What is the SMILES notation for 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline?
The canonical SMILES for 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline is CC/C(C)=C(\C#Cc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline?
The InChIKey is ONDGBXNEVZDCSE-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H19N/c1-3-15(2)19(17-7-5-4-6-8-17)14-11-16-9-12-18(20)13-10-16/h4-10,12-13H,3,20H2,1-2H3/b19-15+.
What are the key properties of 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline?
4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline has a molecular weight of 261.37 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-methyl-3-phenylhex-3-en-1-ynyl]aniline is sourced from PubChem (CID 102375519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).