3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine

C18H29NO2 — CID 10469546

IUPAC3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CCCc2c(OC)ccc(OC)c21
InChIInChI=1S/C18H29NO2/c1-4-12-19-13-6-8-14-7-5-9-15-16(20-2)10-11-17(21-3)18(14)15/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyBJBHCWAZOVVSDJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.90
Rot. Bonds8

About 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine

3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine (PubChem CID 10469546) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine
PubChem CID10469546
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCC1CCCc2c(OC)ccc(OC)c21
InChIInChI=1S/C18H29NO2/c1-4-12-19-13-6-8-14-7-5-9-15-16(20-2)10-11-17(21-3)18(14)15/h10-11,14,19H,4-9,12-13H2,1-3H3
InChIKeyBJBHCWAZOVVSDJ-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737652
tert-butyl N-[(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]carbamate
CID 168830518
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
3-[3-(propylamino)propyl]cyclohexan-1-one
CID 144644512
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 12773157
1-cyclohexyl-4-[3-(5-methoxy-8-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 11654577
(5S)-1-ethoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014230
1-methoxy-4,7,7-trimethyl-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63514934

Frequently Asked Questions

What is the IUPAC name of 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine (CID 10469546) is 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine is CCCNCCCC1CCCc2c(OC)ccc(OC)c21.
What is the InChIKey of 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine?
The InChIKey is BJBHCWAZOVVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-12-19-13-6-8-14-7-5-9-15-16(20-2)10-11-17(21-3)18(14)15/h10-11,14,19H,4-9,12-13H2,1-3H3.
What are the key properties of 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine?
3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 10469546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).