N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine

C14H22FN — CID 107446790

IUPACN-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(C(F)CNC(C)(C)C)cc1
InChIInChI=1S/C14H22FN/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIFAHBTLKUBQPLR-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.65
Rot. Bonds4

About N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine

N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine (PubChem CID 107446790) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
PubChem CID107446790
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(C(F)CNC(C)(C)C)cc1
InChIInChI=1S/C14H22FN/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIFAHBTLKUBQPLR-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
CID 63522223
N-[2-(3,5-dimethoxyphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446635
N-tert-butyl-4-ethylaniline
CID 58745565
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
N-[2-(2-chloro-5-fluorophenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446807
1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
CID 59048816
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine (CID 107446790) is N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine is CCc1ccc(C(F)CNC(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
The InChIKey is IFAHBTLKUBQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine?
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine has a molecular weight of 223.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).