2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C17H27NO — CID 114622944

IUPAC2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCc1cccc(CC(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-12-7-6-8-13(9-12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3
InChIKeyKOIDLGSMVBPVHO-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 114622944) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID114622944
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCc1cccc(CC(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-12-7-6-8-13(9-12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3
InChIKeyKOIDLGSMVBPVHO-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
[1-(2,2-dimethylcyclopropyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 107005554
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(3-methylphenyl)ethanamine
CID 79914739
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methylphenyl)ethanamine
CID 64984380
2-(3-methylphenyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79908437
N-ethyl-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622837
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
CID 79971754
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 114622944) is 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is Cc1cccc(CC(N)C2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is KOIDLGSMVBPVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-7-6-8-13(9-12)10-15(18)14-11-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3.
What are the key properties of 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114622944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).