4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine

C15H23FN2O — CID 65377700

IUPAC4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-11(2)14-9-15(10-17,7-8-19-14)18-13-5-3-12(16)4-6-13/h3-6,11,14,18H,7-10,17H2,1-2H3
InChIKeySFSQYXSBNJUHGH-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.77
Rot. Bonds4

About 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine (PubChem CID 65377700) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
PubChem CID65377700
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C15H23FN2O/c1-11(2)14-9-15(10-17,7-8-19-14)18-13-5-3-12(16)4-6-13/h3-6,11,14,18H,7-10,17H2,1-2H3
InChIKeySFSQYXSBNJUHGH-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-chlorophenyl)-2-propan-2-yloxan-4-amine
CID 65384648
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
CID 65377702
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
CID 105480872
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
3-(aminomethyl)-N-(4-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81468300
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-4-methoxyaniline
CID 107449144
3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
CID 105480875
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine (CID 65377700) is 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(CN)(Nc2ccc(F)cc2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine?
The InChIKey is SFSQYXSBNJUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)14-9-15(10-17,7-8-19-14)18-13-5-3-12(16)4-6-13/h3-6,11,14,18H,7-10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine has a molecular weight of 266.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-fluorophenyl)-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 65377700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).