2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine

C17H28FNO — CID 79437882

IUPAC2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
SMILESCC(C)CNCC(CCOC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-13(2)11-19-12-16(9-10-20-14(3)4)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,9-12H2,1-4H3
InChIKeyPRTJHUIFLZAAEK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.97
Rot. Bonds9

About 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine

2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine (PubChem CID 79437882) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
PubChem CID79437882
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
SMILESCC(C)CNCC(CCOC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-13(2)11-19-12-16(9-10-20-14(3)4)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,9-12H2,1-4H3
InChIKeyPRTJHUIFLZAAEK-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
CID 115943448
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
2-(2-methylphenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79421903
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
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
1-(4-fluorophenyl)sulfanyl-3-(2-methylpropylamino)propan-2-ol
CID 113317842
2-(4-bromophenyl)-N-(2-methylpropyl)pentan-1-amine
CID 79438543
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
N-[2-(4-chlorophenyl)-4-propan-2-yloxybutyl]cyclopropanamine
CID 79438020

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine (CID 79437882) is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine is CC(C)CNCC(CCOC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
The InChIKey is PRTJHUIFLZAAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-13(2)11-19-12-16(9-10-20-14(3)4)15-5-7-17(18)8-6-15/h5-8,13-14,16,19H,9-12H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine?
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 79437882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).