4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride

C16H22Cl2N2O2 — CID 120927437

IUPAC4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCc3c(Cl)cccc32)CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-15(20)16(10-18)6-8-21-9-7-16;/h1-3,14H,4-10,18H2,(H,19,20);1H
InChIKeyAQJZZAGKICNSAZ-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.62
Rot. Bonds3

About 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120927437) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120927437
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CCc3c(Cl)cccc32)CCOCC1
InChIInChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-15(20)16(10-18)6-8-21-9-7-16;/h1-3,14H,4-10,18H2,(H,19,20);1H
InChIKeyAQJZZAGKICNSAZ-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
CID 120936384
4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
CID 120930354
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
[4-(aminomethyl)oxan-4-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120933176
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(2H-triazol-4-ylmethyl)oxane-4-carboxamide
CID 167807370
4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
CID 120925257
4-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120934462
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119746677
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)oxane-4-carboxamide
CID 115438956
4-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]oxane-4-carboxamide
CID 120921952

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride (CID 120927437) is 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CCc3c(Cl)cccc32)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is AQJZZAGKICNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2.ClH/c17-13-3-1-2-12-11(13)4-5-14(12)19-15(20)16(10-18)6-8-21-9-7-16;/h1-3,14H,4-10,18H2,(H,19,20);1H.
What are the key properties of 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).