ethane;4-fluoro-3-methylaniline

C9H14FN — CID 142250330

IUPACethane;4-fluoro-3-methylaniline
SMILESCC.Cc1cc(N)ccc1F
InChIInChI=1S/C7H8FN.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyAQRULZPUMOKGAH-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.74
Rot. Bonds

About ethane;4-fluoro-3-methylaniline

ethane;4-fluoro-3-methylaniline (PubChem CID 142250330) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is ethane;4-fluoro-3-methylaniline.

Molecular Properties

Compound Nameethane;4-fluoro-3-methylaniline
PubChem CID142250330
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Nameethane;4-fluoro-3-methylaniline
SMILESCC.Cc1cc(N)ccc1F
InChIInChI=1S/C7H8FN.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3
InChIKeyAQRULZPUMOKGAH-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.74
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-fluoro-3-methylaniline;molecular hydrogen
CID 145121372
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
ethane;1-fluoro-2,4-dimethylbenzene;formamide
CID 143812517
2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
CID 63735827
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
(5-amino-2-fluorophenyl)boronic acid
CID 4683192
4-fluoro-3-propan-2-ylaniline
CID 45090554
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-3-methylaniline?
The IUPAC name of ethane;4-fluoro-3-methylaniline (CID 142250330) is ethane;4-fluoro-3-methylaniline.
What is the SMILES notation for ethane;4-fluoro-3-methylaniline?
The canonical SMILES for ethane;4-fluoro-3-methylaniline is CC.Cc1cc(N)ccc1F.
What is the InChIKey of ethane;4-fluoro-3-methylaniline?
The InChIKey is AQRULZPUMOKGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.C2H6/c1-5-4-6(9)2-3-7(5)8;1-2/h2-4H,9H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-3-methylaniline?
ethane;4-fluoro-3-methylaniline has a molecular weight of 155.22 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-3-methylaniline is sourced from PubChem (CID 142250330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).