(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol

C17H21NO3 — CID 66515702

IUPAC(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
SMILESCCOc1cc([C@H](N)CO)ccc1OCc1ccccc1
InChIInChI=1S/C17H21NO3/c1-2-20-17-10-14(15(18)11-19)8-9-16(17)21-12-13-6-4-3-5-7-13/h3-10,15,19H,2,11-12,18H2,1H3/t15-/m1/s1
InChIKeyMKDSFRNTWDTRAN-OAHLLOKOSA-N
MW287.36 g/mol
LogP2.66
Rot. Bonds7

About (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol

(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol (PubChem CID 66515702) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
PubChem CID66515702
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
SMILESCCOc1cc([C@H](N)CO)ccc1OCc1ccccc1
InChIInChI=1S/C17H21NO3/c1-2-20-17-10-14(15(18)11-19)8-9-16(17)21-12-13-6-4-3-5-7-13/h3-10,15,19H,2,11-12,18H2,1H3/t15-/m1/s1
InChIKeyMKDSFRNTWDTRAN-OAHLLOKOSA-N
XLogP2.66
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171230019
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313199
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171210418
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)butane-1,4-diamine
CID 171230001
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66512660
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171210412
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol (CID 66515702) is (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol is CCOc1cc([C@H](N)CO)ccc1OCc1ccccc1.
What is the InChIKey of (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol?
The InChIKey is MKDSFRNTWDTRAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-17-10-14(15(18)11-19)8-9-16(17)21-12-13-6-4-3-5-7-13/h3-10,15,19H,2,11-12,18H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol?
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol has a molecular weight of 287.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 66515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).