7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NOS — CID 107269889

IUPAC7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCC1(SC)CC1)CCC2
InChIInChI=1S/C16H23NOS/c1-18-13-7-6-12-4-3-5-15(14(12)10-13)17-11-16(19-2)8-9-16/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3
InChIKeyPPMGKRGNXSJCEU-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.56
Rot. Bonds5

About 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107269889) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107269889
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCC1(SC)CC1)CCC2
InChIInChI=1S/C16H23NOS/c1-18-13-7-6-12-4-3-5-15(14(12)10-13)17-11-16(19-2)8-9-16/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3
InChIKeyPPMGKRGNXSJCEU-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775
(1S)-6-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97101812
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
7-methoxy-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231019
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79370226
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107269889) is 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCC1(SC)CC1)CCC2.
What is the InChIKey of 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PPMGKRGNXSJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-18-13-7-6-12-4-3-5-15(14(12)10-13)17-11-16(19-2)8-9-16/h6-7,10,15,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 277.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107269889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).