N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride

C18H27ClN2O — CID 3043840

IUPACN-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
SMILESCCCC1(CCNC)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-4-9-18(10-11-19-3)17-14(2)15-7-5-6-8-16(15)20(17)12-13-21-18;/h5-8,19H,4,9-13H2,1-3H3;1H
InChIKeyLIAFTFWJFKRCHI-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.01
Rot. Bonds5

About N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride

N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride (PubChem CID 3043840) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
PubChem CID3043840
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride
SMILESCCCC1(CCNC)OCCn2c1c(C)c1ccccc12.Cl
InChIInChI=1S/C18H26N2O.ClH/c1-4-9-18(10-11-19-3)17-14(2)15-7-5-6-8-16(15)20(17)12-13-21-18;/h5-8,19H,4,9-13H2,1-3H3;1H
InChIKeyLIAFTFWJFKRCHI-UHFFFAOYSA-N
XLogP4.01
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cebranopadol
CID 11848225
1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CID 154191
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
CID 66986402
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144
Lexanopadol
CID 24798598
8-Methyl-2-(1-methylindol-3-yl)-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 15176150
2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176159
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
CID 15176165
(12R)-12-ethyl-17-(methoxymethyl)-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227568
(12R)-17-(ethoxymethyl)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 25227569

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride (CID 3043840) is N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride is CCCC1(CCNC)OCCn2c1c(C)c1ccccc12.Cl.
What is the InChIKey of N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
The InChIKey is LIAFTFWJFKRCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c1-4-9-18(10-11-19-3)17-14(2)15-7-5-6-8-16(15)20(17)12-13-21-18;/h5-8,19H,4,9-13H2,1-3H3;1H.
What are the key properties of N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride?
N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3043840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).