(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol

C14H23NO2 — CID 101092421

IUPAC(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
SMILESCOC[C@H](N[C@H](CO)C(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-11(2)13(9-16)15-14(10-17-3)12-7-5-4-6-8-12/h4-8,11,13-16H,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyRLIYHRKGXGGAEU-KGLIPLIRSA-N
MW237.34 g/mol
LogP1.98
Rot. Bonds7

About (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol

(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol (PubChem CID 101092421) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
PubChem CID101092421
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
SMILESCOC[C@H](N[C@H](CO)C(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-11(2)13(9-16)15-14(10-17-3)12-7-5-4-6-8-12/h4-8,11,13-16H,9-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyRLIYHRKGXGGAEU-KGLIPLIRSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1-phenylbutan-1-amine
CID 65047919
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol (CID 101092421) is (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol is COC[C@H](N[C@H](CO)C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol?
The InChIKey is RLIYHRKGXGGAEU-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)13(9-16)15-14(10-17-3)12-7-5-4-6-8-12/h4-8,11,13-16H,9-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 101092421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).