4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride

C21H27ClN2O — CID 119303185

IUPAC4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CN)cc1)C1CCc2ccccc2C1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-2-13-23(21(24)18-9-7-16(15-22)8-10-18)20-12-11-17-5-3-4-6-19(17)14-20;/h3-10,20H,2,11-15,22H2,1H3;1H
InChIKeyQEURHIJFVQIADR-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.98
Rot. Bonds5

About 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride

4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride (PubChem CID 119303185) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
PubChem CID119303185
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CN)cc1)C1CCc2ccccc2C1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-2-13-23(21(24)18-9-7-16(15-22)8-10-18)20-12-11-17-5-3-4-6-19(17)14-20;/h3-10,20H,2,11-15,22H2,1H3;1H
InChIKeyQEURHIJFVQIADR-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dinitro-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60575030
(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
2-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrrole-2,4-dicarboxamide
CID 71862222
2-N-propyl-2-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2,4-dicarboxamide
CID 97027743
3-oxo-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 138993055
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(tetrazol-1-yl)benzamide
CID 60575562
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
6-imidazol-1-yl-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 94648066
3-methyl-4-oxo-N-propyl-2-sulfanylidene-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-quinazoline-7-carboxamide
CID 60575471
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 70190052

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride (CID 119303185) is 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride is CCCN(C(=O)c1ccc(CN)cc1)C1CCc2ccccc2C1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride?
The InChIKey is QEURHIJFVQIADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-2-13-23(21(24)18-9-7-16(15-22)8-10-18)20-12-11-17-5-3-4-6-19(17)14-20;/h3-10,20H,2,11-15,22H2,1H3;1H.
What are the key properties of 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride?
4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119303185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).