2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C17H25NO — CID 115419999

IUPAC2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCN(C1CC1)C1CC(C)c2ccccc2C1O
InChIInChI=1S/C17H25NO/c1-3-10-18(13-8-9-13)16-11-12(2)14-6-4-5-7-15(14)17(16)19/h4-7,12-13,16-17,19H,3,8-11H2,1-2H3
InChIKeyRJIDZUUIHDUYQA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds4

About 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115419999) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115419999
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCN(C1CC1)C1CC(C)c2ccccc2C1O
InChIInChI=1S/C17H25NO/c1-3-10-18(13-8-9-13)16-11-12(2)14-6-4-5-7-15(14)17(16)19/h4-7,12-13,16-17,19H,3,8-11H2,1-2H3
InChIKeyRJIDZUUIHDUYQA-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115419999) is 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCCN(C1CC1)C1CC(C)c2ccccc2C1O.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RJIDZUUIHDUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-10-18(13-8-9-13)16-11-12(2)14-6-4-5-7-15(14)17(16)19/h4-7,12-13,16-17,19H,3,8-11H2,1-2H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115419999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).