1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine

C14H20FNO — CID 62601835

IUPAC1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14H,4-8,16H2,1H3
InChIKeyPYFBLPRXWPIZPR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine

1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine (PubChem CID 62601835) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
PubChem CID62601835
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14H,4-8,16H2,1H3
InChIKeyPYFBLPRXWPIZPR-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
[1-(3-fluoro-4-methylphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 107130877
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
CID 115846820
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 79557851
5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
CID 55295732
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine (CID 62601835) is 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine is Cc1ccc(C(N)CC2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is PYFBLPRXWPIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-2-3-12(9-13(10)15)14(16)8-11-4-6-17-7-5-11/h2-3,9,11,14H,4-8,16H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine?
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62601835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).