N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine

C17H26ClNO2 — CID 62110739

IUPACN-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CCOC1)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-17(2,3)19-10-16(14-6-4-5-7-15(14)18)21-12-13-8-9-20-11-13/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyDWRJURWQOVCHGV-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62110739) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62110739
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCC1CCOC1)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO2/c1-17(2,3)19-10-16(14-6-4-5-7-15(14)18)21-12-13-8-9-20-11-13/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyDWRJURWQOVCHGV-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
N-ethyl-2-(2-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111411
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
3-[[1-(2-bromophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773806
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984855
3-[[1-(4-chlorophenyl)-2-iodoethoxy]methyl]oxolane
CID 114773805
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
CID 62382212
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine (CID 62110739) is N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCC1CCOC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is DWRJURWQOVCHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-17(2,3)19-10-16(14-6-4-5-7-15(14)18)21-12-13-8-9-20-11-13/h4-7,13,16,19H,8-12H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 311.85 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62110739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).