1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol

C15H24N2O — CID 62305455

IUPAC1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
SMILESCN(C)CC(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-17(2)11-15(18)10-16-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14-16,18H,7-11H2,1-2H3
InChIKeyVBDZHRRHZWKXML-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.06
Rot. Bonds5

About 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol

1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol (PubChem CID 62305455) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
PubChem CID62305455
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
SMILESCN(C)CC(O)CNC1CCc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-17(2)11-15(18)10-16-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14-16,18H,7-11H2,1-2H3
InChIKeyVBDZHRRHZWKXML-UHFFFAOYSA-N
XLogP1.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol (CID 62305455) is 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol is CN(C)CC(O)CNC1CCc2ccccc2C1.
What is the InChIKey of 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
The InChIKey is VBDZHRRHZWKXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)11-15(18)10-16-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14-16,18H,7-11H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol?
1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol is sourced from PubChem (CID 62305455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).