2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol

C16H25NO3 — CID 13438548

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO3/c1-16(2)10-13(8-9-20-16)17-11-15(18)12-4-6-14(19-3)7-5-12/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyULNHAQQAVRWKLM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds5

About 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol

2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 13438548) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
PubChem CID13438548
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H25NO3/c1-16(2)10-13(8-9-20-16)17-11-15(18)12-4-6-14(19-3)7-5-12/h4-7,13,15,17-18H,8-11H2,1-3H3
InChIKeyULNHAQQAVRWKLM-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 81422251
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
CID 40917163
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
2-[(4-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60760718
1-[(2,2-dimethyloxan-4-yl)amino]-3-phenoxypropan-2-ol
CID 13202185
2-[(3,4-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64742281
1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
CID 83033246
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
2-[(3-ethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 64743967
(1R)-2-[[(4R)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97321724
3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 52993436

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol (CID 13438548) is 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNC2CCOC(C)(C)C2)cc1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is ULNHAQQAVRWKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2)10-13(8-9-20-16)17-11-15(18)12-4-6-14(19-3)7-5-12/h4-7,13,15,17-18H,8-11H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol?
2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 13438548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).