1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine

C13H18FNO — CID 62907400

IUPAC1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyMPHZKFDYGHQHSW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 62907400) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID62907400
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C13H18FNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyMPHZKFDYGHQHSW-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine
CID 65334440
1-(2,3-dihydro-1H-inden-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 65410726
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147269

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 62907400) is 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is MPHZKFDYGHQHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62907400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).