(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

C14H15ClF3NO — CID 135263337

IUPAC(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc([C@H](N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H/t13-;/m0./s1
InChIKeyGXVZFLRKDUSJRR-ZOWNYOTGSA-N
MW305.73 g/mol
LogP4.39
Rot. Bonds2

About (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 135263337) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID135263337
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCc1ccc([C@H](N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H/t13-;/m0./s1
InChIKeyGXVZFLRKDUSJRR-ZOWNYOTGSA-N
XLogP4.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
CID 135262978
(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methanamine;hydrochloride
CID 135262901
2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
CID 135263451
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-[(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 135263197
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
(5-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785774
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 63185829
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
[4-bromo-2-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanamine
CID 79697276

Frequently Asked Questions

What is the IUPAC name of (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 135263337) is (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cc1ccc([C@H](N)c2ccc(C)o2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is GXVZFLRKDUSJRR-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H14F3NO.ClH/c1-8-3-5-10(11(7-8)14(15,16)17)13(18)12-6-4-9(2)19-12;/h3-7,13H,18H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-methylfuran-2-yl)-[4-methyl-2-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 135263337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).