6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine

C16H20F3NO — CID 141097826

IUPAC6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine
SMILESCc1ccc2c(c1)C=CC(NCCC(C)C)(C(F)(F)F)O2
InChIInChI=1S/C16H20F3NO/c1-11(2)7-9-20-15(16(17,18)19)8-6-13-10-12(3)4-5-14(13)21-15/h4-6,8,10-11,20H,7,9H2,1-3H3
InChIKeyDEUFLFGCDUMRGK-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.29
Rot. Bonds4

About 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine

6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine (PubChem CID 141097826) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine
PubChem CID141097826
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine
SMILESCc1ccc2c(c1)C=CC(NCCC(C)C)(C(F)(F)F)O2
InChIInChI=1S/C16H20F3NO/c1-11(2)7-9-20-15(16(17,18)19)8-6-13-10-12(3)4-5-14(13)21-15/h4-6,8,10-11,20H,7,9H2,1-3H3
InChIKeyDEUFLFGCDUMRGK-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-N-(3-methylbutyl)aniline
CID 28877553
N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
CID 46918543
[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol
CID 141097868
2-methoxy-4-methyl-N-(3-methylbutyl)aniline
CID 60930975
(2,2-dimethylchromen-6-yl) 3-methylbutanoate
CID 174537350
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755
(2S)-2-(benzylamino)-7-methyl-2-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 7044994
2,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)aniline
CID 115928156
2-(trifluoromethyl)-2-(trifluoromethylsulfanyl)chromene-6-carboxylic acid
CID 174385792
1-(2-fluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 62790209
2,2,6-trimethylchromen-3-ol
CID 70365956
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine?
The IUPAC name of 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine (CID 141097826) is 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine is Cc1ccc2c(c1)C=CC(NCCC(C)C)(C(F)(F)F)O2.
What is the InChIKey of 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine?
The InChIKey is DEUFLFGCDUMRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(2)7-9-20-15(16(17,18)19)8-6-13-10-12(3)4-5-14(13)21-15/h4-6,8,10-11,20H,7,9H2,1-3H3.
What are the key properties of 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine?
6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine has a molecular weight of 299.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutyl)-2-(trifluoromethyl)chromen-2-amine is sourced from PubChem (CID 141097826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).