N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine

C15H23ClFNO — CID 116690237

IUPACN-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)COc1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-14(2,3)18-9-15(4,5)10-19-12-8-6-7-11(16)13(12)17/h6-8,18H,9-10H2,1-5H3
InChIKeyWXFIWFCNYDUCTN-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.27
Rot. Bonds5

About N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine

N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 116690237) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
PubChem CID116690237
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC NameN-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)COc1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-14(2,3)18-9-15(4,5)10-19-12-8-6-7-11(16)13(12)17/h6-8,18H,9-10H2,1-5H3
InChIKeyWXFIWFCNYDUCTN-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-(3-chloro-2-fluorophenoxy)-2-phenylpropan-2-ol
CID 116689725
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
N-tert-butyl-2-(3-chloro-2-fluorophenyl)-2-methylpropan-1-amine
CID 82806549
N-tert-butyl-3-(5-chloro-2-methylphenoxy)-2,2-dimethylpropan-1-amine
CID 79628140
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82131057
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine (CID 116690237) is N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)COc1cccc(Cl)c1F.
What is the InChIKey of N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is WXFIWFCNYDUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-14(2,3)18-9-15(4,5)10-19-12-8-6-7-11(16)13(12)17/h6-8,18H,9-10H2,1-5H3.
What are the key properties of N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116690237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).