4-fluoro-3-methylaniline;molecular hydrogen

C7H10FN — CID 145121372

IUPAC4-fluoro-3-methylaniline;molecular hydrogen
SMILESCc1cc(N)ccc1F.[H][H]
InChIInChI=1S/C7H8FN.H2/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H
InChIKeyJTJHXMPQIXLVBG-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.96
Rot. Bonds

About 4-fluoro-3-methylaniline;molecular hydrogen

4-fluoro-3-methylaniline;molecular hydrogen (PubChem CID 145121372) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 4-fluoro-3-methylaniline;molecular hydrogen.

Molecular Properties

Compound Name4-fluoro-3-methylaniline;molecular hydrogen
PubChem CID145121372
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name4-fluoro-3-methylaniline;molecular hydrogen
SMILESCc1cc(N)ccc1F.[H][H]
InChIInChI=1S/C7H8FN.H2/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H
InChIKeyJTJHXMPQIXLVBG-UHFFFAOYSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.96
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

ethane;4-fluoro-3-methylaniline
CID 142250330
4-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 39243567
(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
CID 123541236
2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
CID 63735827
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
4-fluoro-3-propan-2-ylaniline
CID 45090554
(5-amino-2-fluorophenyl)boronic acid
CID 4683192
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methylaniline;molecular hydrogen?
The IUPAC name of 4-fluoro-3-methylaniline;molecular hydrogen (CID 145121372) is 4-fluoro-3-methylaniline;molecular hydrogen.
What is the SMILES notation for 4-fluoro-3-methylaniline;molecular hydrogen?
The canonical SMILES for 4-fluoro-3-methylaniline;molecular hydrogen is Cc1cc(N)ccc1F.[H][H].
What is the InChIKey of 4-fluoro-3-methylaniline;molecular hydrogen?
The InChIKey is JTJHXMPQIXLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN.H2/c1-5-4-6(9)2-3-7(5)8;/h2-4H,9H2,1H3;1H.
What are the key properties of 4-fluoro-3-methylaniline;molecular hydrogen?
4-fluoro-3-methylaniline;molecular hydrogen has a molecular weight of 127.16 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylaniline;molecular hydrogen is sourced from PubChem (CID 145121372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).