N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine

C17H26FNO — CID 79438523

IUPACN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h6-9,14,16,19H,4-5,10-12H2,1-3H3
InChIKeyAMUQKQDFCNYOCQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 79438523) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID79438523
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(CC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h6-9,14,16,19H,4-5,10-12H2,1-3H3
InChIKeyAMUQKQDFCNYOCQ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
CID 65431740
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936
2-(4-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79438066
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 60697164
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine (CID 79438523) is N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(CC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is AMUQKQDFCNYOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h6-9,14,16,19H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79438523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).