2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

C14H22FN — CID 112566026

IUPAC2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCC(F)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22FN/c1-5-14(15,9-16)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9,16H2,1-4H3
InChIKeyDJSPIEZHUZDTFM-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.23
Rot. Bonds4

About 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine

2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (PubChem CID 112566026) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
PubChem CID112566026
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
SMILESCCC(F)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22FN/c1-5-14(15,9-16)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9,16H2,1-4H3
InChIKeyDJSPIEZHUZDTFM-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(2,4,6-trimethylphenyl)methyl]hexan-1-amine
CID 63523408
2-[(4-chloro-3-methylphenyl)methyl]-2-fluorobutan-1-amine
CID 165484448
3-(aminomethyl)-3-ethyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116603890
2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
CID 102640281
1-amino-2-(2,4,6-trimethylphenyl)butan-2-ol
CID 82048718
2-phenyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 63408240
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
4,4,4-trifluoro-3-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 103311794
ethyl 2-(aminomethyl)-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butanoate
CID 106488625
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
2,2-dimethyl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65301160
2-(3,5-dimethylphenyl)-2-fluoropropan-1-amine
CID 112565200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The IUPAC name of 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine (CID 112566026) is 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is CCC(F)(CN)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
The InChIKey is DJSPIEZHUZDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-14(15,9-16)8-13-11(3)6-10(2)7-12(13)4/h6-7H,5,8-9,16H2,1-4H3.
What are the key properties of 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine?
2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2,4,6-trimethylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 112566026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).