4-[3-(1-pyridin-2-ylethylamino)butyl]phenol

C17H22N2O — CID 43202604

IUPAC4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-13(6-7-15-8-10-16(20)11-9-15)19-14(2)17-5-3-4-12-18-17/h3-5,8-14,19-20H,6-7H2,1-2H3
InChIKeyBZWFSANYIKCULZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.46
Rot. Bonds6

About 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol

4-[3-(1-pyridin-2-ylethylamino)butyl]phenol (PubChem CID 43202604) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
PubChem CID43202604
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(C)c1ccccn1
InChIInChI=1S/C17H22N2O/c1-13(6-7-15-8-10-16(20)11-9-15)19-14(2)17-5-3-4-12-18-17/h3-5,8-14,19-20H,6-7H2,1-2H3
InChIKeyBZWFSANYIKCULZ-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
CID 43685015
(2R)-3-phenyl-2-(1-pyridin-2-ylethylamino)propan-1-ol
CID 104926141
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
CID 82732195

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol?
The IUPAC name of 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol (CID 43202604) is 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol?
The canonical SMILES for 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NC(C)c1ccccn1.
What is the InChIKey of 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol?
The InChIKey is BZWFSANYIKCULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(6-7-15-8-10-16(20)11-9-15)19-14(2)17-5-3-4-12-18-17/h3-5,8-14,19-20H,6-7H2,1-2H3.
What are the key properties of 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol?
4-[3-(1-pyridin-2-ylethylamino)butyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-pyridin-2-ylethylamino)butyl]phenol is sourced from PubChem (CID 43202604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).