4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol

C15H23NO — CID 116952908

IUPAC4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
SMILESCNC(CCCO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO/c1-16-15(7-4-10-17)14-9-8-12-5-2-3-6-13(12)11-14/h8-9,11,15-17H,2-7,10H2,1H3
InChIKeyUGHCTZUWDHYWTH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.60
Rot. Bonds5

About 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol

4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol (PubChem CID 116952908) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
PubChem CID116952908
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
SMILESCNC(CCCO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO/c1-16-15(7-4-10-17)14-9-8-12-5-2-3-6-13(12)11-14/h8-9,11,15-17H,2-7,10H2,1H3
InChIKeyUGHCTZUWDHYWTH-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116949253
4-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116861384
methyl 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 116955498
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
4-(2,3-dihydro-1H-inden-5-yl)-4-(methylamino)butanenitrile
CID 116955267
6-[4-hydroxy-1-(methylamino)butyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116952952
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
1-(2,3-dihydro-1H-inden-5-yl)-3-methoxy-N-methylbutan-1-amine
CID 114194469
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The IUPAC name of 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol (CID 116952908) is 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol.
What is the SMILES notation for 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The canonical SMILES for 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol is CNC(CCCO)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
The InChIKey is UGHCTZUWDHYWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-15(7-4-10-17)14-9-8-12-5-2-3-6-13(12)11-14/h8-9,11,15-17H,2-7,10H2,1H3.
What are the key properties of 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol?
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol is sourced from PubChem (CID 116952908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).