1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol

C16H26N2O — CID 66038474

IUPAC1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
SMILESCC(C)CNCC(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C16H26N2O/c1-12(2)10-17-11-16(3,19)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-19H,8-11H2,1-3H3
InChIKeyPXWYCGIGMWEUPH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds5

About 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol

1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol (PubChem CID 66038474) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
PubChem CID66038474
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol
SMILESCC(C)CNCC(C)(O)C1CCc2ccccc2N1
InChIInChI=1S/C16H26N2O/c1-12(2)10-17-11-16(3,19)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-19H,8-11H2,1-3H3
InChIKeyPXWYCGIGMWEUPH-UHFFFAOYSA-N
XLogP2.41
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol (CID 66038474) is 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol is CC(C)CNCC(C)(O)C1CCc2ccccc2N1.
What is the InChIKey of 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
The InChIKey is PXWYCGIGMWEUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-17-11-16(3,19)15-9-8-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-19H,8-11H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol?
1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-2-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 66038474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).