N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline

C16H26N2O — CID 115723946

IUPACN,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
SMILESCC(NC(C)C1CCOC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(17-13(2)15-9-10-19-11-15)14-5-7-16(8-6-14)18(3)4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyOPBQMHCTJXTREF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds5

About N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline

N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline (PubChem CID 115723946) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
PubChem CID115723946
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
SMILESCC(NC(C)C1CCOC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(17-13(2)15-9-10-19-11-15)14-5-7-16(8-6-14)18(3)4/h5-8,12-13,15,17H,9-11H2,1-4H3
InChIKeyOPBQMHCTJXTREF-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445
4-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzonitrile
CID 103768084
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
CID 115707063

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline (CID 115723946) is N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline is CC(NC(C)C1CCOC1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline?
The InChIKey is OPBQMHCTJXTREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(17-13(2)15-9-10-19-11-15)14-5-7-16(8-6-14)18(3)4/h5-8,12-13,15,17H,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline?
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline is sourced from PubChem (CID 115723946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).