1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol

C13H21NO2 — CID 21121270

IUPAC1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
SMILESCC(N)Cc1ccc(C(C)O)c(C(C)O)c1
InChIInChI=1S/C13H21NO2/c1-8(14)6-11-4-5-12(9(2)15)13(7-11)10(3)16/h4-5,7-10,15-16H,6,14H2,1-3H3
InChIKeyRNMYTAYMGCPTPQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds4

About 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol

1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol (PubChem CID 21121270) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
PubChem CID21121270
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
SMILESCC(N)Cc1ccc(C(C)O)c(C(C)O)c1
InChIInChI=1S/C13H21NO2/c1-8(14)6-11-4-5-12(9(2)15)13(7-11)10(3)16/h4-5,7-10,15-16H,6,14H2,1-3H3
InChIKeyRNMYTAYMGCPTPQ-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
[4-(2-aminopropyl)phenyl]methanediol
CID 77321990
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
1-(4-butan-2-yl-3-chlorophenyl)propan-2-amine
CID 117324650
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol (CID 21121270) is 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol is CC(N)Cc1ccc(C(C)O)c(C(C)O)c1.
What is the InChIKey of 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol?
The InChIKey is RNMYTAYMGCPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(14)6-11-4-5-12(9(2)15)13(7-11)10(3)16/h4-5,7-10,15-16H,6,14H2,1-3H3.
What are the key properties of 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol?
1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol is sourced from PubChem (CID 21121270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).