5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO3 — CID 115417654

IUPAC5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C17H27NO3/c1-6-9-18-13-8-7-11(2)15-12(13)10-14(19-3)16(20-4)17(15)21-5/h10-11,13,18H,6-9H2,1-5H3
InChIKeyUHGYFJARVKCTQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.65
Rot. Bonds6

About 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417654) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417654
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCC(C)c2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C17H27NO3/c1-6-9-18-13-8-7-11(2)15-12(13)10-14(19-3)16(20-4)17(15)21-5/h10-11,13,18H,6-9H2,1-5H3
InChIKeyUHGYFJARVKCTQJ-UHFFFAOYSA-N
XLogP3.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-propyl-8,9,10,11-tetrahydro-7H-cyclohepta[a]naphthalen-7-amine
CID 63513706
3,10-dimethyl-N-propyl-3,4,7,8,9,10-hexahydro-2H-benzo[h][1,5]benzodioxepin-7-amine
CID 115417710
1-bromo-3,4-dimethoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736545
7-bromo-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305812
N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109328
N-ethyl-1,2,3-trimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62738031
7-ethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417532
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
7-chloro-4,5,8-trimethyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417705
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
5-ethyl-7-methoxy-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107667317

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417654) is 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCC(C)c2c1cc(OC)c(OC)c2OC.
What is the InChIKey of 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UHGYFJARVKCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-9-18-13-8-7-11(2)15-12(13)10-14(19-3)16(20-4)17(15)21-5/h10-11,13,18H,6-9H2,1-5H3.
What are the key properties of 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).