4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C19H22ClN — CID 45260963

IUPAC4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=CCNC1Cc2ccccc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C19H21N.ClH/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15;/h2-11,17,19-20H,1,12-14H2;1H
InChIKeyRAHJLFQDOQBIFK-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.33
Rot. Bonds4

About 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 45260963) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID45260963
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESC=CCNC1Cc2ccccc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C19H21N.ClH/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15;/h2-11,17,19-20H,1,12-14H2;1H
InChIKeyRAHJLFQDOQBIFK-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 45260963) is 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is C=CCNC1Cc2ccccc2C(c2ccccc2)C1.Cl.
What is the InChIKey of 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is RAHJLFQDOQBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.ClH/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15;/h2-11,17,19-20H,1,12-14H2;1H.
What are the key properties of 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 45260963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).