4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine

C17H20FNO — CID 82138025

IUPAC4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(C(CN)CCOc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13-6-8-14(9-7-13)15(12-19)10-11-20-17-5-3-2-4-16(17)18/h2-9,15H,10-12,19H2,1H3
InChIKeyJKRACHJWMXAHTK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds6

About 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine

4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine (PubChem CID 82138025) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
PubChem CID82138025
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
SMILESCc1ccc(C(CN)CCOc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO/c1-13-6-8-14(9-7-13)15(12-19)10-11-20-17-5-3-2-4-16(17)18/h2-9,15H,10-12,19H2,1H3
InChIKeyJKRACHJWMXAHTK-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
2-(4-bromophenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 79429853
2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 82137983
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
CID 82137950
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
2-(4-methylphenyl)-4-(3-propan-2-ylphenoxy)butan-1-amine
CID 82138041
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine?
The IUPAC name of 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine (CID 82138025) is 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine is Cc1ccc(C(CN)CCOc2ccccc2F)cc1.
What is the InChIKey of 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine?
The InChIKey is JKRACHJWMXAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13-6-8-14(9-7-13)15(12-19)10-11-20-17-5-3-2-4-16(17)18/h2-9,15H,10-12,19H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine?
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 82138025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).