2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine

C18H30FNO — CID 115943448

IUPAC2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(CCOC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-14(2)12-20-13-16(10-11-21-18(3,4)5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyCHKAOJADAXIXAB-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.36
Rot. Bonds8

About 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine

2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine (PubChem CID 115943448) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
PubChem CID115943448
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(CCOC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-14(2)12-20-13-16(10-11-21-18(3,4)5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyCHKAOJADAXIXAB-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
N-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107696753
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine (CID 115943448) is 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(CCOC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CHKAOJADAXIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-14(2)12-20-13-16(10-11-21-18(3,4)5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine?
2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115943448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).