2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine

C18H28N2O — CID 103864488

IUPAC2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
SMILESCCN(CC)c1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-20(4-2)16-9-5-14(6-10-16)13-19-17-11-12-21-18(17)15-7-8-15/h5-6,9-10,15,17-19H,3-4,7-8,11-13H2,1-2H3
InChIKeyWAGSXGHMOLCWQS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds7

About 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine

2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine (PubChem CID 103864488) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
PubChem CID103864488
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
SMILESCCN(CC)c1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-20(4-2)16-9-5-14(6-10-16)13-19-17-11-12-21-18(17)15-7-8-15/h5-6,9-10,15,17-19H,3-4,7-8,11-13H2,1-2H3
InChIKeyWAGSXGHMOLCWQS-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
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

2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
4-[[(2,3-dimethylcyclohexyl)amino]methyl]-N,N-diethylaniline
CID 43079092
N,N-diethyl-4-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]aniline
CID 64921729
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
CID 115563782

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine (CID 103864488) is 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine is CCN(CC)c1ccc(CNC2CCOC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine?
The InChIKey is WAGSXGHMOLCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-20(4-2)16-9-5-14(6-10-16)13-19-17-11-12-21-18(17)15-7-8-15/h5-6,9-10,15,17-19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine?
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 103864488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).