2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine

C18H28FNO — CID 65166335

IUPAC2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-16(7-10-18-4-3-11-21-18)12-15-5-8-17(19)9-6-15/h5-6,8-9,14,16,18,20H,3-4,7,10-13H2,1-2H3
InChIKeyRDBULCYCCCFXBV-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.94
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine

2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 65166335) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
PubChem CID65166335
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCC1CCCO1)Cc1ccc(F)cc1
InChIInChI=1S/C18H28FNO/c1-14(2)20-13-16(7-10-18-4-3-11-21-18)12-15-5-8-17(19)9-6-15/h5-6,8-9,14,16,18,20H,3-4,7,10-13H2,1-2H3
InChIKeyRDBULCYCCCFXBV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
2-[4-(bromomethyl)-5-(4-fluorophenyl)pentyl]oxolane
CID 66042483
2-[3-(bromomethyl)-4-(4-chlorophenyl)butyl]oxolane
CID 66042689
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
2-[(4-methoxyphenyl)methyl]-N-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65166606
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036686
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine (CID 65166335) is 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCC(CCC1CCCO1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is RDBULCYCCCFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14(2)20-13-16(7-10-18-4-3-11-21-18)12-15-5-8-17(19)9-6-15/h5-6,8-9,14,16,18,20H,3-4,7,10-13H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine?
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65166335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).