3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol

C15H23NO — CID 66091347

IUPAC3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(9-10-17)11-16-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-17H,4,6,8-11H2,1H3
InChIKeyPANNZHUFNRPJIR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds5

About 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol

3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol (PubChem CID 66091347) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
PubChem CID66091347
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
SMILESCC(CCO)CNC1CCCc2ccccc21
InChIInChI=1S/C15H23NO/c1-12(9-10-17)11-16-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-17H,4,6,8-11H2,1H3
InChIKeyPANNZHUFNRPJIR-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 79080089
N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61009603
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 62994581
3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol (CID 66091347) is 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol is CC(CCO)CNC1CCCc2ccccc21.
What is the InChIKey of 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The InChIKey is PANNZHUFNRPJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(9-10-17)11-16-15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-17H,4,6,8-11H2,1H3.
What are the key properties of 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol is sourced from PubChem (CID 66091347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).