[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

C20H25ClN2O — CID 75429777

IUPAC[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-20(2,3)17-8-9-18-16(12-17)10-11-22(18)19(23)15-6-4-14(13-21)5-7-15;/h4-9,12H,10-11,13,21H2,1-3H3;1H
InChIKeyMSAGERDRSYUULL-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.07
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 75429777) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID75429777
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-20(2,3)17-8-9-18-16(12-17)10-11-22(18)19(23)15-6-4-14(13-21)5-7-15;/h4-9,12H,10-11,13,21H2,1-3H3;1H
InChIKeyMSAGERDRSYUULL-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
5-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 139000890
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
CID 119313316
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 75429777) is [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride is CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is MSAGERDRSYUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-20(2,3)17-8-9-18-16(12-17)10-11-22(18)19(23)15-6-4-14(13-21)5-7-15;/h4-9,12H,10-11,13,21H2,1-3H3;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 75429777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).