2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol

C16H25NO — CID 81411790

IUPAC2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO/c1-3-16(2,12-18)11-17-15-10-6-8-13-7-4-5-9-14(13)15/h6,8,10,17-18H,3-5,7,9,11-12H2,1-2H3
InChIKeyHAZOUFNACLWPMY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol

2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol (PubChem CID 81411790) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
PubChem CID81411790
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO/c1-3-16(2,12-18)11-17-15-10-6-8-13-7-4-5-9-14(13)15/h6,8,10,17-18H,3-5,7,9,11-12H2,1-2H3
InChIKeyHAZOUFNACLWPMY-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol with MolForge

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Related Compounds

2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114492544
2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanol
CID 28573020
N-butyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43079025
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
N-octyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43129204
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-ol
CID 117292903
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol (CID 81411790) is 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol is CCC(C)(CO)CNc1cccc2c1CCCC2.
What is the InChIKey of 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol?
The InChIKey is HAZOUFNACLWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(2,12-18)11-17-15-10-6-8-13-7-4-5-9-14(13)15/h6,8,10,17-18H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol?
2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 81411790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).