(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C19H24ClNO — CID 22875033

IUPAC(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCC(C)N[C@H]1COc2cccc(-c3ccccc3)c2C1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-3-14(2)20-16-12-18-17(15-8-5-4-6-9-15)10-7-11-19(18)21-13-16;/h4-11,14,16,20H,3,12-13H2,1-2H3;1H/t14?,16-;/m1./s1
InChIKeyWAIRGNWGTLUJGQ-BXWZNKKMSA-N
MW317.86 g/mol
LogP4.47
Rot. Bonds4

About (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 22875033) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID22875033
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCCC(C)N[C@H]1COc2cccc(-c3ccccc3)c2C1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-3-14(2)20-16-12-18-17(15-8-5-4-6-9-15)10-7-11-19(18)21-13-16;/h4-11,14,16,20H,3,12-13H2,1-2H3;1H/t14?,16-;/m1./s1
InChIKeyWAIRGNWGTLUJGQ-BXWZNKKMSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 22875033) is (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is CCC(C)N[C@H]1COc2cccc(-c3ccccc3)c2C1.Cl.
What is the InChIKey of (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is WAIRGNWGTLUJGQ-BXWZNKKMSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-3-14(2)20-16-12-18-17(15-8-5-4-6-9-15)10-7-11-19(18)21-13-16;/h4-11,14,16,20H,3,12-13H2,1-2H3;1H/t14?,16-;/m1./s1.
What are the key properties of (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
(3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butan-2-yl-5-phenyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 22875033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).