1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine

C14H20FNO — CID 62906604

IUPAC1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H20FNO/c1-16-11-14(6-8-17-9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16H,6-11H2,1H3
InChIKeyBHOUFGKMCCWSLH-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 62906604) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID62906604
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(F)cc2)CCOCC1
InChIInChI=1S/C14H20FNO/c1-16-11-14(6-8-17-9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16H,6-11H2,1H3
InChIKeyBHOUFGKMCCWSLH-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
1-[(1-ethylcyclopropyl)methyl]-4-fluorobenzene
CID 177366881
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine (CID 62906604) is 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine is CNCC1(Cc2ccc(F)cc2)CCOCC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is BHOUFGKMCCWSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-16-11-14(6-8-17-9-7-14)10-12-2-4-13(15)5-3-12/h2-5,16H,6-11H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62906604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).