N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine

C16H26N2O — CID 82754523

IUPACN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
SMILESCNCCc1ccccc1CN(C)C1CCOC1C
InChIInChI=1S/C16H26N2O/c1-13-16(9-11-19-13)18(3)12-15-7-5-4-6-14(15)8-10-17-2/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyDWCHXZBVJGOYAX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.06
Rot. Bonds6

About N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine

N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine (PubChem CID 82754523) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
PubChem CID82754523
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
SMILESCNCCc1ccccc1CN(C)C1CCOC1C
InChIInChI=1S/C16H26N2O/c1-13-16(9-11-19-13)18(3)12-15-7-5-4-6-14(15)8-10-17-2/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyDWCHXZBVJGOYAX-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974
N-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 115463785
N,2-dimethyl-N-[[2-(methylamino)-3-nitrophenyl]methyl]oxolan-3-amine
CID 107351494
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2-dimethyloxolan-3-amine
CID 82745755
N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739350
N-methyl-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 82744226
N,2-dimethyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]oxolan-3-amine
CID 82754072
N-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82732739
N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
N-methyl-5-[[methyl-(2-methyloxolan-3-yl)amino]methyl]pyrazin-2-amine
CID 103056756
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine?
The IUPAC name of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine (CID 82754523) is N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine is CNCCc1ccccc1CN(C)C1CCOC1C.
What is the InChIKey of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine?
The InChIKey is DWCHXZBVJGOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-16(9-11-19-13)18(3)12-15-7-5-4-6-14(15)8-10-17-2/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine?
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 82754523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).