(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol

C13H21NO2 — CID 124500483

IUPAC(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol
SMILESCCCO[C@H](C)c1ccc([C@H](N)CO)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-16-10(2)11-4-6-12(7-5-11)13(14)9-15/h4-7,10,13,15H,3,8-9,14H2,1-2H3/t10-,13-/m1/s1
InChIKeyDFXQALFMJDURLV-ZWNOBZJWSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol

(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol (PubChem CID 124500483) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol
PubChem CID124500483
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol
SMILESCCCO[C@H](C)c1ccc([C@H](N)CO)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-16-10(2)11-4-6-12(7-5-11)13(14)9-15/h4-7,10,13,15H,3,8-9,14H2,1-2H3/t10-,13-/m1/s1
InChIKeyDFXQALFMJDURLV-ZWNOBZJWSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[4-[(1S)-1-propoxyethyl]phenyl]ethanol
CID 124500482
4-[4-(1-propoxyethyl)phenyl]phenol
CID 14533191
4-(1-propoxyethyl)benzoic acid
CID 14473433
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
4-[1-(2-propoxyethoxy)ethyl]aniline
CID 63687066
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252
methyl 2-[4-[(1S)-1-propoxyethyl]phenyl]acetate
CID 124500474
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
4-(1-heptoxyethyl)aniline
CID 61263162

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol (CID 124500483) is (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol is CCCO[C@H](C)c1ccc([C@H](N)CO)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol?
The InChIKey is DFXQALFMJDURLV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-16-10(2)11-4-6-12(7-5-11)13(14)9-15/h4-7,10,13,15H,3,8-9,14H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol?
(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol is sourced from PubChem (CID 124500483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).