4-fluoro-5-methyl-2-propan-2-ylaniline

C10H14FN — CID 126643926

IUPAC4-fluoro-5-methyl-2-propan-2-ylaniline
SMILESCc1cc(N)c(C(C)C)cc1F
InChIInChI=1S/C10H14FN/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,12H2,1-3H3
InChIKeyKAAHPCKVKAJFAL-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.84
Rot. Bonds1

About 4-fluoro-5-methyl-2-propan-2-ylaniline

4-fluoro-5-methyl-2-propan-2-ylaniline (PubChem CID 126643926) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-propan-2-ylaniline.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-propan-2-ylaniline
PubChem CID126643926
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-5-methyl-2-propan-2-ylaniline
SMILESCc1cc(N)c(C(C)C)cc1F
InChIInChI=1S/C10H14FN/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,12H2,1-3H3
InChIKeyKAAHPCKVKAJFAL-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-aminoethyl]-2-fluoro-5-methylaniline
CID 130775695
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
(1S)-1-(2-amino-4-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 130739605
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-fluoro-3-propan-2-ylaniline
CID 45090554
fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
CID 177009893
4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
CID 123370142
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
1-(2,4-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288733
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-propan-2-ylaniline?
The IUPAC name of 4-fluoro-5-methyl-2-propan-2-ylaniline (CID 126643926) is 4-fluoro-5-methyl-2-propan-2-ylaniline.
What is the SMILES notation for 4-fluoro-5-methyl-2-propan-2-ylaniline?
The canonical SMILES for 4-fluoro-5-methyl-2-propan-2-ylaniline is Cc1cc(N)c(C(C)C)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-propan-2-ylaniline?
The InChIKey is KAAHPCKVKAJFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,12H2,1-3H3.
What are the key properties of 4-fluoro-5-methyl-2-propan-2-ylaniline?
4-fluoro-5-methyl-2-propan-2-ylaniline has a molecular weight of 167.23 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-propan-2-ylaniline is sourced from PubChem (CID 126643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).