4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol

C20H22N2O — CID 111467260

IUPAC4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
SMILESOCCCC(NCc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-14-6-11-19(16-7-2-1-3-8-16)21-15-18-13-12-17-9-4-5-10-20(17)22-18/h1-5,7-10,12-13,19,21,23H,6,11,14-15H2
InChIKeyKKIAOXROPMYSSA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.84
Rot. Bonds7

About 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol

4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol (PubChem CID 111467260) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
PubChem CID111467260
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
SMILESOCCCC(NCc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-14-6-11-19(16-7-2-1-3-8-16)21-15-18-13-12-17-9-4-5-10-20(17)22-18/h1-5,7-10,12-13,19,21,23H,6,11,14-15H2
InChIKeyKKIAOXROPMYSSA-UHFFFAOYSA-N
XLogP3.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylbenzimidazol-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449850
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
N-(quinolin-2-ylmethyl)pentan-3-amine
CID 28774778
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
4-[(2-chloro-3-pyridinyl)methylamino]-4-phenylbutan-1-ol
CID 111449772
9-quinolin-2-ylnonan-1-ol
CID 19898716
N-(quinolin-2-ylmethyl)butan-2-amine
CID 43183332
N-(quinolin-2-ylmethyl)hex-1-yn-3-amine
CID 106227146
4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449854
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol?
The IUPAC name of 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol (CID 111467260) is 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol is OCCCC(NCc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol?
The InChIKey is KKIAOXROPMYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-14-6-11-19(16-7-2-1-3-8-16)21-15-18-13-12-17-9-4-5-10-20(17)22-18/h1-5,7-10,12-13,19,21,23H,6,11,14-15H2.
What are the key properties of 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol?
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 111467260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).