(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol

C17H27NO2 — CID 107862364

IUPAC(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCC1(C)CC(N[C@H](CO)Cc2ccccc2)CCO1
InChIInChI=1S/C17H27NO2/c1-3-17(2)12-15(9-10-20-17)18-16(13-19)11-14-7-5-4-6-8-14/h4-8,15-16,18-19H,3,9-13H2,1-2H3/t15?,16-,17?/m0/s1
InChIKeyDNBCTMSPKDUBQF-CGZBRXJRSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds6

About (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol

(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 107862364) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID107862364
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCC1(C)CC(N[C@H](CO)Cc2ccccc2)CCO1
InChIInChI=1S/C17H27NO2/c1-3-17(2)12-15(9-10-20-17)18-16(13-19)11-14-7-5-4-6-8-14/h4-8,15-16,18-19H,3,9-13H2,1-2H3/t15?,16-,17?/m0/s1
InChIKeyDNBCTMSPKDUBQF-CGZBRXJRSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-3-phenylpropan-1-ol
CID 79899907
3-phenyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 115998927
2-[(5,5-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79958163
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
(2S)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 102613829
(2R)-2-[(3,4-dimethylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104922859
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735
(2S)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-phenylpropan-1-ol
CID 102613855
(2R)-2-[(3-cyclopropylcyclohexyl)amino]-3-phenylpropan-1-ol
CID 104926199
N-(1,3-diphenylpropan-2-yl)oxolan-3-amine
CID 80719225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol (CID 107862364) is (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol is CCC1(C)CC(N[C@H](CO)Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is DNBCTMSPKDUBQF-CGZBRXJRSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-17(2)12-15(9-10-20-17)18-16(13-19)11-14-7-5-4-6-8-14/h4-8,15-16,18-19H,3,9-13H2,1-2H3/t15?,16-,17?/m0/s1.
What are the key properties of (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol?
(2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethyl-2-methyloxan-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 107862364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).