2-fluoro-N-methyl-4-propan-2-ylaniline

C10H14FN — CID 58786905

IUPAC2-fluoro-N-methyl-4-propan-2-ylaniline
SMILESCNc1ccc(C(C)C)cc1F
InChIInChI=1S/C10H14FN/c1-7(2)8-4-5-10(12-3)9(11)6-8/h4-7,12H,1-3H3
InChIKeyXMGRKTWXPOKMSU-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.99
Rot. Bonds2

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

2-fluoro-N-methyl-4-propan-2-ylaniline (PubChem CID 58786905) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-propan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-propan-2-ylaniline
PubChem CID58786905
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-fluoro-N-methyl-4-propan-2-ylaniline
SMILESCNc1ccc(C(C)C)cc1F
InChIInChI=1S/C10H14FN/c1-7(2)8-4-5-10(12-3)9(11)6-8/h4-7,12H,1-3H3
InChIKeyXMGRKTWXPOKMSU-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
CID 21341950
CID 21341950
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239123
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
N-(4,7-dimethyloctan-4-yl)-2-fluoro-4-propan-2-ylaniline
CID 144857612
2-fluoro-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-4-propan-2-ylaniline
CID 167911169
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-propan-2-ylaniline?
The IUPAC name of 2-fluoro-N-methyl-4-propan-2-ylaniline (CID 58786905) is 2-fluoro-N-methyl-4-propan-2-ylaniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-propan-2-ylaniline?
The canonical SMILES for 2-fluoro-N-methyl-4-propan-2-ylaniline is CNc1ccc(C(C)C)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-propan-2-ylaniline?
The InChIKey is XMGRKTWXPOKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-7(2)8-4-5-10(12-3)9(11)6-8/h4-7,12H,1-3H3.
What are the key properties of 2-fluoro-N-methyl-4-propan-2-ylaniline?
2-fluoro-N-methyl-4-propan-2-ylaniline has a molecular weight of 167.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-propan-2-ylaniline is sourced from PubChem (CID 58786905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).