(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol

C15H20N2O — CID 79253789

IUPAC(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccnc2ccccc12
InChIInChI=1S/C15H20N2O/c1-11(2)15(10-18)17-9-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11,15,17-18H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyZRYIKVQTTWFEKU-OAHLLOKOSA-N
MW244.34 g/mol
LogP2.34
Rot. Bonds5

About (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol

(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol (PubChem CID 79253789) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
PubChem CID79253789
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccnc2ccccc12
InChIInChI=1S/C15H20N2O/c1-11(2)15(10-18)17-9-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11,15,17-18H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyZRYIKVQTTWFEKU-OAHLLOKOSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(quinolin-4-ylmethylamino)pentan-2-one
CID 143524850
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
3-ethyl-N-(quinolin-4-ylmethyl)pentan-2-amine
CID 63852270
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080
N-ethyl-3,4-dimethyl-1-quinolin-4-ylpentan-2-amine
CID 104997465
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81369406
1-(5-chlorothiophen-2-yl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850550

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol (CID 79253789) is (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol is CC(C)[C@@H](CO)NCc1ccnc2ccccc12.
What is the InChIKey of (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol?
The InChIKey is ZRYIKVQTTWFEKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)15(10-18)17-9-12-7-8-16-14-6-4-3-5-13(12)14/h3-8,11,15,17-18H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol?
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 79253789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).