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

C18H21ClN2O — CID 119263397

IUPAC4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O.ClH/c19-12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17;/h1-2,4,6,8-11,17H,3,5,7,12,19H2,(H,20,21);1H
InChIKeyJFOVOILZLSWNDS-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.37
Rot. Bonds3

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

4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride (PubChem CID 119263397) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
PubChem CID119263397
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O.ClH/c19-12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17;/h1-2,4,6,8-11,17H,3,5,7,12,19H2,(H,20,21);1H
InChIKeyJFOVOILZLSWNDS-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]acetamide
CID 166276896
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride (CID 119263397) is 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NC2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride?
The InChIKey is JFOVOILZLSWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c19-12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17;/h1-2,4,6,8-11,17H,3,5,7,12,19H2,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride?
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119263397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).