1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine

C14H20FNO — CID 114241898

IUPAC1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCOCC1C
InChIInChI=1S/C14H20FNO/c1-10-9-17-7-6-13(10)14(16-2)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3
InChIKeyZQBJYQZKWZIVJX-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.76
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine (PubChem CID 114241898) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
PubChem CID114241898
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)C1CCOCC1C
InChIInChI=1S/C14H20FNO/c1-10-9-17-7-6-13(10)14(16-2)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3
InChIKeyZQBJYQZKWZIVJX-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79906920
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine
CID 114242090
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
[1,4-dioxan-2-yl-(3-fluorophenyl)methyl]hydrazine
CID 105285493
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
N-methyl-1-(2-methylcyclopropyl)-1-(3-methylphenyl)methanamine
CID 65422773

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine (CID 114241898) is 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine is CNC(c1cccc(F)c1)C1CCOCC1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine?
The InChIKey is ZQBJYQZKWZIVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-9-17-7-6-13(10)14(16-2)11-4-3-5-12(15)8-11/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(3-methyloxan-4-yl)methanamine is sourced from PubChem (CID 114241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).