5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

C15H21NO — CID 105490085

IUPAC5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2CC1CCCN1
InChIInChI=1S/C15H21NO/c17-15-8-2-6-13-11(4-1-7-14(13)15)10-12-5-3-9-16-12/h2,6,8,11-12,16-17H,1,3-5,7,9-10H2
InChIKeyXKHULBRCEAQJAM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds2

About 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 105490085) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID105490085
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2CC1CCCN1
InChIInChI=1S/C15H21NO/c17-15-8-2-6-13-11(4-1-7-14(13)15)10-12-5-3-9-16-12/h2,6,8,11-12,16-17H,1,3-5,7,9-10H2
InChIKeyXKHULBRCEAQJAM-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57052297
5-(isocyanatomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 112709876
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
1-[(cyclopentylamino)methyl]-2,3-dihydro-1H-inden-4-ol
CID 105490143
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
7-benzyl-7,8,9,10-tetrahydrochrysen-1-ol
CID 174480338
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143330144
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
(5R)-5-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10545056
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 105490085) is 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCCC2CC1CCCN1.
What is the InChIKey of 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XKHULBRCEAQJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-8-2-6-13-11(4-1-7-14(13)15)10-12-5-3-9-16-12/h2,6,8,11-12,16-17H,1,3-5,7,9-10H2.
What are the key properties of 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 105490085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).