(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine

C14H18F3NO — CID 150193100

IUPAC(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C[C@H]1COc2ccccc2[C@H]1N)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-13(2,14(15,16)17)7-9-8-19-11-6-4-3-5-10(11)12(9)18/h3-6,9,12H,7-8,18H2,1-2H3/t9-,12-/m0/s1
InChIKeyFNVZXAVTWTWABB-CABZTGNLSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds2

About (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine

(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 150193100) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID150193100
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C[C@H]1COc2ccccc2[C@H]1N)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-13(2,14(15,16)17)7-9-8-19-11-6-4-3-5-10(11)12(9)18/h3-6,9,12H,7-8,18H2,1-2H3/t9-,12-/m0/s1
InChIKeyFNVZXAVTWTWABB-CABZTGNLSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
3-[[(3S,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]oxy]-2,2-dimethylpropanenitrile
CID 172508662
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
3-(4,4-diethylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63160368

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 150193100) is (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)(C[C@H]1COc2ccccc2[C@H]1N)C(F)(F)F.
What is the InChIKey of (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FNVZXAVTWTWABB-CABZTGNLSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2,14(15,16)17)7-9-8-19-11-6-4-3-5-10(11)12(9)18/h3-6,9,12H,7-8,18H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine?
(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 150193100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).