2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine

C17H27NO2 — CID 54805225

IUPAC2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)(C)CNCc1ccccc1OCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-17(2,3)13-18-11-14-7-4-5-9-16(14)20-12-15-8-6-10-19-15/h4-5,7,9,15,18H,6,8,10-13H2,1-3H3
InChIKeyJNKRPRNPMWCWON-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds6

About 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine

2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 54805225) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID54805225
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)(C)CNCc1ccccc1OCC1CCCO1
InChIInChI=1S/C17H27NO2/c1-17(2,3)13-18-11-14-7-4-5-9-16(14)20-12-15-8-6-10-19-15/h4-5,7,9,15,18H,6,8,10-13H2,1-3H3
InChIKeyJNKRPRNPMWCWON-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799584
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine (CID 54805225) is 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine is CC(C)(C)CNCc1ccccc1OCC1CCCO1.
What is the InChIKey of 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is JNKRPRNPMWCWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,3)13-18-11-14-7-4-5-9-16(14)20-12-15-8-6-10-19-15/h4-5,7,9,15,18H,6,8,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine?
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 54805225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).