1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H22N2O — CID 71291078

IUPAC1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CN)cc3)cc2CC[C@@H]1C
InChIInChI=1S/C19H22N2O/c1-13-3-6-18-11-17(9-10-19(18)21(13)14(2)22)16-7-4-15(12-20)5-8-16/h4-5,7-11,13H,3,6,12,20H2,1-2H3/t13-/m0/s1
InChIKeyFVJMFUSIMQYVEP-ZDUSSCGKSA-N
MW294.40 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 71291078) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID71291078
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(CN)cc3)cc2CC[C@@H]1C
InChIInChI=1S/C19H22N2O/c1-13-3-6-18-11-17(9-10-19(18)21(13)14(2)22)16-7-4-15(12-20)5-8-16/h4-5,7-11,13H,3,6,12,20H2,1-2H3/t13-/m0/s1
InChIKeyFVJMFUSIMQYVEP-ZDUSSCGKSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 71291078) is 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(CN)cc3)cc2CC[C@@H]1C.
What is the InChIKey of 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is FVJMFUSIMQYVEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-3-6-18-11-17(9-10-19(18)21(13)14(2)22)16-7-4-15(12-20)5-8-16/h4-5,7-11,13H,3,6,12,20H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-[4-(aminomethyl)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 71291078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).