(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C14H21NO — CID 129406352

IUPAC(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN[C@@H]1Cc2c(O)cccc2C[C@H]1C
InChIInChI=1S/C14H21NO/c1-3-7-15-13-9-12-11(8-10(13)2)5-4-6-14(12)16/h4-6,10,13,15-16H,3,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeySRMYDECUJQRUEQ-ZWNOBZJWSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds3

About (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 129406352) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID129406352
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCCCN[C@@H]1Cc2c(O)cccc2C[C@H]1C
InChIInChI=1S/C14H21NO/c1-3-7-15-13-9-12-11(8-10(13)2)5-4-6-14(12)16/h4-6,10,13,15-16H,3,7-9H2,1-2H3/t10-,13-/m1/s1
InChIKeySRMYDECUJQRUEQ-ZWNOBZJWSA-N
XLogP2.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7R)-6-methyl-7-pentan-3-yloxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 143917176
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
6-(nonylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 23635117
(3aS,9aR)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 10105311
(3aR,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 10036887
(3aS,9aS)-1-propyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-ol
CID 11776081
(2R,3S)-8-methoxy-3-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 67749546
6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 12878351
5-chloro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 14969231
(2R)-5-fluoro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10679847
4-chloro-2-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79726762
3-methyl-3,4-dihydro-1H-isochromen-5-ol
CID 138550787

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 129406352) is (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is CCCN[C@@H]1Cc2c(O)cccc2C[C@H]1C.
What is the InChIKey of (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SRMYDECUJQRUEQ-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-15-13-9-12-11(8-10(13)2)5-4-6-14(12)16/h4-6,10,13,15-16H,3,7-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-methyl-7-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 129406352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).