2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol

C16H25NO3 — CID 62021539

IUPAC2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1COC(C)(c2ccccc2)O1
InChIInChI=1S/C16H25NO3/c1-13(2)17(9-10-18)11-15-12-19-16(3,20-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3
InChIKeyMXQVULAWDUSOGE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.98
Rot. Bonds6

About 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol

2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol (PubChem CID 62021539) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
PubChem CID62021539
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1COC(C)(c2ccccc2)O1
InChIInChI=1S/C16H25NO3/c1-13(2)17(9-10-18)11-15-12-19-16(3,20-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3
InChIKeyMXQVULAWDUSOGE-UHFFFAOYSA-N
XLogP1.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
CID 63282356
[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
CID 62020984
3-[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]phenol
CID 117169822
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872527
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]butan-2-amine
CID 66229158
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
(1R)-1-[(4R,4aR,8aS)-2,6-dimethyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 67230728
[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117169887
3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 65448257
2-[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117170008
2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 64980499

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol (CID 62021539) is 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1COC(C)(c2ccccc2)O1.
What is the InChIKey of 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol?
The InChIKey is MXQVULAWDUSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)17(9-10-18)11-15-12-19-16(3,20-15)14-7-5-4-6-8-14/h4-8,13,15,18H,9-12H2,1-3H3.
What are the key properties of 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol?
2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol has a molecular weight of 279.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 62021539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).