[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride

C19H24ClN — CID 140539979

IUPAC[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride
SMILESC/C=C/CCCc1ccc(C([NH3+])c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C19H23N.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)19(20)17-10-7-5-8-11-17;/h2-3,5,7-8,10-15,19H,4,6,9,20H2,1H3;1H/b3-2+;
InChIKeyHQFNIMIWJACQHN-SQQVDAMQSA-N
MW301.86 g/mol
LogP0.92
Rot. Bonds6

About [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride

[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride (PubChem CID 140539979) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride.

Molecular Properties

Compound Name[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride
PubChem CID140539979
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride
SMILESC/C=C/CCCc1ccc(C([NH3+])c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C19H23N.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)19(20)17-10-7-5-8-11-17;/h2-3,5,7-8,10-15,19H,4,6,9,20H2,1H3;1H/b3-2+;
InChIKeyHQFNIMIWJACQHN-SQQVDAMQSA-N
XLogP0.92
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hex-4-enyl-4-phenylbenzene
CID 174423294
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377
pent-3-enylbenzene
CID 519421
1-chloro-4-[4-[(Z)-hex-4-enyl]phenyl]benzene
CID 71056346
4-dec-8-enylbenzoic acid
CID 151842838
4-hept-5-enylphenol
CID 66787200
1-hex-4-enyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139743480
[(E)-hept-5-en-2-yl]benzene
CID 22172140
[(4Z)-8-methylnona-4,8-dienyl]benzene
CID 10775019
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
[(E)-5-bromopent-4-enyl]benzene
CID 15076450

Frequently Asked Questions

What is the IUPAC name of [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride?
The IUPAC name of [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride (CID 140539979) is [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride.
What is the SMILES notation for [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride?
The canonical SMILES for [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride is C/C=C/CCCc1ccc(C([NH3+])c2ccccc2)cc1.[Cl-].
What is the InChIKey of [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride?
The InChIKey is HQFNIMIWJACQHN-SQQVDAMQSA-N. The full InChI is InChI=1S/C19H23N.ClH/c1-2-3-4-6-9-16-12-14-18(15-13-16)19(20)17-10-7-5-8-11-17;/h2-3,5,7-8,10-15,19H,4,6,9,20H2,1H3;1H/b3-2+;.
What are the key properties of [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride?
[[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride has a molecular weight of 301.86 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[(E)-hex-4-enyl]phenyl]-phenylmethyl]azanium chloride is sourced from PubChem (CID 140539979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).