N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine

C15H23F2NO — CID 62484837

IUPACN-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-10(2)14(9-18-15(3,4)5)19-11-6-7-12(16)13(17)8-11/h6-8,10,14,18H,9H2,1-5H3
InChIKeyGXWMFGZVQHKYRZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.76
Rot. Bonds5

About N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine

N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine (PubChem CID 62484837) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
PubChem CID62484837
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-10(2)14(9-18-15(3,4)5)19-11-6-7-12(16)13(17)8-11/h6-8,10,14,18H,9H2,1-5H3
InChIKeyGXWMFGZVQHKYRZ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 65201280
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543
1-(3,4-difluorophenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720284

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine (CID 62484837) is N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Oc1ccc(F)c(F)c1.
What is the InChIKey of N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine?
The InChIKey is GXWMFGZVQHKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-10(2)14(9-18-15(3,4)5)19-11-6-7-12(16)13(17)8-11/h6-8,10,14,18H,9H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine?
N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-difluorophenoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 62484837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).