2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine

C15H24FNO — CID 112566600

IUPAC2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(F)(CN)C(C)(C)C)cc1
InChIInChI=1S/C15H24FNO/c1-5-10-18-13-8-6-12(7-9-13)15(16,11-17)14(2,3)4/h6-9H,5,10-11,17H2,1-4H3
InChIKeyZATDUTWYVKBCGZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.64
Rot. Bonds5

About 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine (PubChem CID 112566600) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
PubChem CID112566600
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(F)(CN)C(C)(C)C)cc1
InChIInChI=1S/C15H24FNO/c1-5-10-18-13-8-6-12(7-9-13)15(16,11-17)14(2,3)4/h6-9H,5,10-11,17H2,1-4H3
InChIKeyZATDUTWYVKBCGZ-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
1-methoxy-2-(4-propoxyphenyl)propan-2-amine
CID 62796268
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine (CID 112566600) is 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine is CCCOc1ccc(C(F)(CN)C(C)(C)C)cc1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine?
The InChIKey is ZATDUTWYVKBCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-10-18-13-8-6-12(7-9-13)15(16,11-17)14(2,3)4/h6-9H,5,10-11,17H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 112566600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).