4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol

C20H22N2O — CID 97322144

IUPAC4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
SMILESC[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H22N2O/c1-14(13-16-7-10-18(23)11-8-16)21-15(2)19-12-9-17-5-3-4-6-20(17)22-19/h3-12,14-15,21,23H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyGOKCWFVCCZJLHQ-GJZGRUSLSA-N
MW306.41 g/mol
LogP4.22
Rot. Bonds5

About 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol

4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol (PubChem CID 97322144) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
PubChem CID97322144
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
SMILESC[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H22N2O/c1-14(13-16-7-10-18(23)11-8-16)21-15(2)19-12-9-17-5-3-4-6-20(17)22-19/h3-12,14-15,21,23H,13H2,1-2H3/t14-,15-/m0/s1
InChIKeyGOKCWFVCCZJLHQ-GJZGRUSLSA-N
XLogP4.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol?
The IUPAC name of 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol (CID 97322144) is 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol.
What is the SMILES notation for 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol?
The canonical SMILES for 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol is C[C@H](N[C@@H](C)Cc1ccc(O)cc1)c1ccc2ccccc2n1.
What is the InChIKey of 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol?
The InChIKey is GOKCWFVCCZJLHQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14(13-16-7-10-18(23)11-8-16)21-15(2)19-12-9-17-5-3-4-6-20(17)22-19/h3-12,14-15,21,23H,13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol?
4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol has a molecular weight of 306.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol is sourced from PubChem (CID 97322144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).