N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine

C17H28N2O — CID 82739333

IUPACN,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
SMILESCCCNC(C)c1ccccc1N(C)C1CCOC1C
InChIInChI=1S/C17H28N2O/c1-5-11-18-13(2)15-8-6-7-9-17(15)19(4)16-10-12-20-14(16)3/h6-9,13-14,16,18H,5,10-12H2,1-4H3
InChIKeyZNJSHZBQCJKOEU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.36
Rot. Bonds6

About N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine

N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine (PubChem CID 82739333) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
PubChem CID82739333
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
SMILESCCCNC(C)c1ccccc1N(C)C1CCOC1C
InChIInChI=1S/C17H28N2O/c1-5-11-18-13(2)15-8-6-7-9-17(15)19(4)16-10-12-20-14(16)3/h6-9,13-14,16,18H,5,10-12H2,1-4H3
InChIKeyZNJSHZBQCJKOEU-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
CID 82740348
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
CID 43648827
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine?
The IUPAC name of N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine (CID 82739333) is N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine is CCCNC(C)c1ccccc1N(C)C1CCOC1C.
What is the InChIKey of N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine?
The InChIKey is ZNJSHZBQCJKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-11-18-13(2)15-8-6-7-9-17(15)19(4)16-10-12-20-14(16)3/h6-9,13-14,16,18H,5,10-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine?
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.36, 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-[1-(propylamino)ethyl]phenyl]oxolan-3-amine is sourced from PubChem (CID 82739333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).