2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline

C19H25FN2O2 — CID 46200976

IUPAC2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline
SMILESCc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1
InChIInChI=1S/C19H25FN2O2/c1-14-5-7-19(17(21)11-14)24-18-8-6-16(23-10-4-9-20)12-15(18)13-22(2)3/h5-8,11-12H,4,9-10,13,21H2,1-3H3
InChIKeyDOYLLHOWPJQFPA-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.17
Rot. Bonds8

About 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline

2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline (PubChem CID 46200976) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline
PubChem CID46200976
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline
SMILESCc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1
InChIInChI=1S/C19H25FN2O2/c1-14-5-7-19(17(21)11-14)24-18-8-6-16(23-10-4-9-20)12-15(18)13-22(2)3/h5-8,11-12H,4,9-10,13,21H2,1-3H3
InChIKeyDOYLLHOWPJQFPA-UHFFFAOYSA-N
XLogP4.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-((Dimethylamino)methyl)phenoxy)-5-methylbenzenamine
CID 10244152
2-(2-((Dimethylamino)methyl)phenoxy)-5-iodoaniline
CID 11176087
2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735929
N-(2-cyclopentyloxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 70688885
2-(4-Ethoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2392341
2-(2-((Dimethylamino)methyl)-4-fluorophenoxy)-5-methylbenzenamine
CID 44440497
3-Amino-4-(2-((dimethylamino)methyl)-4-fluorophenoxy)benzonitrile
CID 44440501
2-(2-((Dimethylamino)methyl)phenoxy)-5-fluorobenzenamine
CID 44440504
N,N-Dimethyl-5-(4-fluorobutoxy)-2-(2-amino-4-methylphenoxy)benzylamine
CID 46200977
4-Fluoro-N,N-dimethyl-2-(2-amino-4-methylphenoxy)-benzylamine
CID 46229670
N,N-Dimethyl-4-(2-fluoroethoxy)-2-(2-amino-4-methylphenoxy)benzylamine
CID 46229671
N,N-Dimethyl-5-(2-fluoroethoxy)-2-(2-amino-4-methylphenoxy)benzylamine
CID 46229672

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline (CID 46200976) is 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline is Cc1ccc(Oc2ccc(OCCCF)cc2CN(C)C)c(N)c1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline?
The InChIKey is DOYLLHOWPJQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14-5-7-19(17(21)11-14)24-18-8-6-16(23-10-4-9-20)12-15(18)13-22(2)3/h5-8,11-12H,4,9-10,13,21H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline?
2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline has a molecular weight of 332.42 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-(3-fluoropropoxy)phenoxy]-5-methylaniline is sourced from PubChem (CID 46200976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).