(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C18H22NO+ — CID 6941881

IUPAC(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-20-16-9-4-6-14(12-16)13-19-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/p+1/t18-/m1/s1
InChIKeySXHRESMDGYRFLU-GOSISDBHSA-O
MW268.38 g/mol
LogP2.84
Rot. Bonds4

About (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 6941881) has the molecular formula C18H22NO+ and a molecular weight of 268.38 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID6941881
Molecular FormulaC18H22NO+
Molecular Weight268.38 g/mol
Exact Mass268.17
IUPAC Name(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO/c1-20-16-9-4-6-14(12-16)13-19-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/p+1/t18-/m1/s1
InChIKeySXHRESMDGYRFLU-GOSISDBHSA-O
XLogP2.84
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 6594947
naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7322208
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
(3R,9bR)-3-[(3-methoxyphenyl)methyl]-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 54223220
3-[(3-methoxyphenyl)methyl]-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole
CID 19793230
(2,4-dichlorophenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7320166
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[(3-methoxyphenyl)methyl]azanium
CID 2392926
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 86881269
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
4-(3-methoxyphenoxy)-3-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanamide
CID 87871029
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 6941881) is (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is COc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1.
What is the InChIKey of (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is SXHRESMDGYRFLU-GOSISDBHSA-O. The full InChI is InChI=1S/C18H21NO/c1-20-16-9-4-6-14(12-16)13-19-18-11-5-8-15-7-2-3-10-17(15)18/h2-4,6-7,9-10,12,18-19H,5,8,11,13H2,1H3/p+1/t18-/m1/s1.
What are the key properties of (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
(3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 268.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 6941881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).