4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol

C17H27NO2 — CID 103787626

IUPAC4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc2c(c1)CCCC2NCC(C)(C)CCO
InChIInChI=1S/C17H27NO2/c1-17(2,9-10-19)12-18-16-6-4-5-13-11-14(20-3)7-8-15(13)16/h7-8,11,16,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyYVOFWDPSSPLZGA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds6

About 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol

4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 103787626) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID103787626
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCOc1ccc2c(c1)CCCC2NCC(C)(C)CCO
InChIInChI=1S/C17H27NO2/c1-17(2,9-10-19)12-18-16-6-4-5-13-11-14(20-3)7-8-15(13)16/h7-8,11,16,18-19H,4-6,9-10,12H2,1-3H3
InChIKeyYVOFWDPSSPLZGA-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106144036
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol (CID 103787626) is 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol is COc1ccc2c(c1)CCCC2NCC(C)(C)CCO.
What is the InChIKey of 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YVOFWDPSSPLZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,9-10-19)12-18-16-6-4-5-13-11-14(20-3)7-8-15(13)16/h7-8,11,16,18-19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103787626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).