(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol

C15H19ClN2O — CID 164636815

IUPAC(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)CNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN2O/c1-10(2)12(9-19)8-17-15-6-3-11-7-13(16)4-5-14(11)18-15/h3-7,10,12,19H,8-9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyTWJNAMHDPOKPPC-LBPRGKRZSA-N
MW278.78 g/mol
LogP3.56
Rot. Bonds5

About (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol

(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol (PubChem CID 164636815) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol
PubChem CID164636815
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)CNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C15H19ClN2O/c1-10(2)12(9-19)8-17-15-6-3-11-7-13(16)4-5-14(11)18-15/h3-7,10,12,19H,8-9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyTWJNAMHDPOKPPC-LBPRGKRZSA-N
XLogP3.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol (CID 164636815) is (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol is CC(C)[C@H](CO)CNc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol?
The InChIKey is TWJNAMHDPOKPPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10(2)12(9-19)8-17-15-6-3-11-7-13(16)4-5-14(11)18-15/h3-7,10,12,19H,8-9H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol?
(2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(6-chloroquinolin-2-yl)amino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 164636815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).