1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine

C17H20FNO — CID 62797468

IUPAC1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-10-6-14(7-11-16)17(3,19)13-4-8-15(18)9-5-13/h4-12H,19H2,1-3H3
InChIKeyXJXWLRCSVLBPEK-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine

1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 62797468) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID62797468
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(C)(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-12(2)20-16-10-6-14(7-11-16)17(3,19)13-4-8-15(18)9-5-13/h4-12H,19H2,1-3H3
InChIKeyXJXWLRCSVLBPEK-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
2-amino-2-(4-propan-2-yloxyphenyl)propanenitrile
CID 16794106
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
1-(4-fluorophenoxy)ethanamine
CID 68874100
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 62916529

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 62797468) is 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(C)(N)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is XJXWLRCSVLBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)20-16-10-6-14(7-11-16)17(3,19)13-4-8-15(18)9-5-13/h4-12H,19H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine?
1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 62797468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).