3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline

C15H23NO2 — CID 54864333

IUPAC3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
SMILESCC(C)COc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)10-18-15-5-3-4-14(8-15)16-9-13-6-7-17-11-13/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3
InChIKeyGGMHFDZFESWKFN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds6

About 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline

3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline (PubChem CID 54864333) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
PubChem CID54864333
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
SMILESCC(C)COc1cccc(NCC2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)10-18-15-5-3-4-14(8-15)16-9-13-6-7-17-11-13/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3
InChIKeyGGMHFDZFESWKFN-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
CID 43721253
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
3-ethylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887989
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091
3,4-diethoxy-N-(oxolan-3-ylmethyl)aniline
CID 43193089
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
CID 82727034
N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 54864368
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline (CID 54864333) is 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline is CC(C)COc1cccc(NCC2CCOC2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is GGMHFDZFESWKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)10-18-15-5-3-4-14(8-15)16-9-13-6-7-17-11-13/h3-5,8,12-13,16H,6-7,9-11H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline?
3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 249.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 54864333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).