4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride

C14H21ClN2O2 — CID 119300314

IUPAC4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-9-11-4-6-12(7-5-11)14(17)16-10-13-3-1-2-8-18-13;/h4-7,13H,1-3,8-10,15H2,(H,16,17);1H
InChIKeyQOOKCQRKMHZWOH-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.87
Rot. Bonds4

About 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride

4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119300314) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
PubChem CID119300314
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O2.ClH/c15-9-11-4-6-12(7-5-11)14(17)16-10-13-3-1-2-8-18-13;/h4-7,13H,1-3,8-10,15H2,(H,16,17);1H
InChIKeyQOOKCQRKMHZWOH-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
CID 90649436
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(morpholin-4-ium-4-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 6946389

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride (CID 119300314) is 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCC2CCCCO2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is QOOKCQRKMHZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c15-9-11-4-6-12(7-5-11)14(17)16-10-13-3-1-2-8-18-13;/h4-7,13H,1-3,8-10,15H2,(H,16,17);1H.
What are the key properties of 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxan-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119300314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).