4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine

C15H23FN2O — CID 65385727

IUPAC4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2cccc(F)c2)CCO1
InChIInChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,7-8-19-14)18-13-6-4-5-12(16)9-13/h4-6,9,18H,3,7-8,10-11,17H2,1-2H3
InChIKeyVOCVAWUKPBIZBO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.91
Rot. Bonds4

About 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine

4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine (PubChem CID 65385727) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
PubChem CID65385727
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2cccc(F)c2)CCO1
InChIInChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,7-8-19-14)18-13-6-4-5-12(16)9-13/h4-6,9,18H,3,7-8,10-11,17H2,1-2H3
InChIKeyVOCVAWUKPBIZBO-UHFFFAOYSA-N
XLogP2.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
CID 107619534
N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
CID 65382978
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
CID 103961232
4-(aminomethyl)-2-ethyl-2-methyl-N-prop-2-ynyloxan-4-amine
CID 65381384
[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
CID 79928702
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine (CID 65385727) is 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine is CCC1(C)CC(CN)(Nc2cccc(F)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine?
The InChIKey is VOCVAWUKPBIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-14(2)10-15(11-17,7-8-19-14)18-13-6-4-5-12(16)9-13/h4-6,9,18H,3,7-8,10-11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine is sourced from PubChem (CID 65385727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).