2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline

C16H25NO2 — CID 164638358

IUPAC2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
SMILESCC(C)COc1ccccc1NCC[C@H]1CCCO1
InChIInChI=1S/C16H25NO2/c1-13(2)12-19-16-8-4-3-7-15(16)17-10-9-14-6-5-11-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyKEMDXDMVXCQXOR-CQSZACIVSA-N
MW263.38 g/mol
LogP3.70
Rot. Bonds7

About 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline

2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline (PubChem CID 164638358) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
PubChem CID164638358
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline
SMILESCC(C)COc1ccccc1NCC[C@H]1CCCO1
InChIInChI=1S/C16H25NO2/c1-13(2)12-19-16-8-4-3-7-15(16)17-10-9-14-6-5-11-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1
InChIKeyKEMDXDMVXCQXOR-CQSZACIVSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(2-methylpropoxy)phenyl]-1-[2-(oxan-2-yl)ethyl]urea
CID 118793915
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549
5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170286
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
CID 54803377
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54802930

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The IUPAC name of 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline (CID 164638358) is 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The canonical SMILES for 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline is CC(C)COc1ccccc1NCC[C@H]1CCCO1.
What is the InChIKey of 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
The InChIKey is KEMDXDMVXCQXOR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)12-19-16-8-4-3-7-15(16)17-10-9-14-6-5-11-18-14/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline?
2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]aniline is sourced from PubChem (CID 164638358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).