4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline

C15H17F3N2O — CID 61426224

IUPAC4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1occc1CN(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-10-12(5-6-21-10)9-20(2)13-4-3-11(8-19)14(7-13)15(16,17)18/h3-7H,8-9,19H2,1-2H3
InChIKeyCGNOWTOCPDYEDM-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.70
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline

4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 61426224) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID61426224
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
SMILESCc1occc1CN(C)c1ccc(CN)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O/c1-10-12(5-6-21-10)9-20(2)13-4-3-11(8-19)14(7-13)15(16,17)18/h3-7H,8-9,19H2,1-2H3
InChIKeyCGNOWTOCPDYEDM-UHFFFAOYSA-N
XLogP3.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81116722
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
2-(aminomethyl)-N,5-dimethyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 62307943
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)aniline
CID 81053579
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
CID 63672007
2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
CID 62923272
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
1-[[4-(aminomethyl)-N-methyl-3-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 114947828
4-(aminomethyl)-N-methyl-N-pentan-3-yl-3-(trifluoromethyl)aniline
CID 43570547
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-3-(trifluoromethyl)aniline
CID 43569586
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenecarbothioamide
CID 55154521
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline (CID 61426224) is 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline is Cc1occc1CN(C)c1ccc(CN)c(C(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is CGNOWTOCPDYEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-10-12(5-6-21-10)9-20(2)13-4-3-11(8-19)14(7-13)15(16,17)18/h3-7H,8-9,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline?
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 298.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).