3-(3-fluoropropoxy)-4-methylaniline

C10H14FNO — CID 81107122

IUPAC3-(3-fluoropropoxy)-4-methylaniline
SMILESCc1ccc(N)cc1OCCCF
InChIInChI=1S/C10H14FNO/c1-8-3-4-9(12)7-10(8)13-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyCJFGUSQSFISYPV-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.32
Rot. Bonds4

About 3-(3-fluoropropoxy)-4-methylaniline

3-(3-fluoropropoxy)-4-methylaniline (PubChem CID 81107122) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-4-methylaniline.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-4-methylaniline
PubChem CID81107122
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-(3-fluoropropoxy)-4-methylaniline
SMILESCc1ccc(N)cc1OCCCF
InChIInChI=1S/C10H14FNO/c1-8-3-4-9(12)7-10(8)13-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyCJFGUSQSFISYPV-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexadecoxy-4-methylaniline
CID 57081496
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
5-amino-2-(3-fluoropropoxy)benzonitrile
CID 81107247
3-(methoxymethoxy)-4-methylaniline
CID 65365143
3-[2-(2-chlorophenoxy)ethoxy]-4-methylaniline
CID 39377062
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
ethyl 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
4-methyl-3-(2-thiophen-2-ylethoxy)aniline
CID 63776205
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-4-methylaniline?
The IUPAC name of 3-(3-fluoropropoxy)-4-methylaniline (CID 81107122) is 3-(3-fluoropropoxy)-4-methylaniline.
What is the SMILES notation for 3-(3-fluoropropoxy)-4-methylaniline?
The canonical SMILES for 3-(3-fluoropropoxy)-4-methylaniline is Cc1ccc(N)cc1OCCCF.
What is the InChIKey of 3-(3-fluoropropoxy)-4-methylaniline?
The InChIKey is CJFGUSQSFISYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-3-4-9(12)7-10(8)13-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 3-(3-fluoropropoxy)-4-methylaniline?
3-(3-fluoropropoxy)-4-methylaniline has a molecular weight of 183.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-4-methylaniline is sourced from PubChem (CID 81107122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).