1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride

C14H15ClF3N — CID 117047105

IUPAC1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
SMILESCl.NC(CCc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H14F3N.ClH/c15-14(16,17)13(18)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9,13H,6,8,18H2;1H
InChIKeyYKSNCQRLDIAIJR-UHFFFAOYSA-N
MW289.73 g/mol
LogP4.08
Rot. Bonds3

About 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride

1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride (PubChem CID 117047105) has the molecular formula C14H15ClF3N and a molecular weight of 289.73 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
PubChem CID117047105
Molecular FormulaC14H15ClF3N
Molecular Weight289.73 g/mol
Exact Mass289.08
IUPAC Name1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride
SMILESCl.NC(CCc1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C14H14F3N.ClH/c15-14(16,17)13(18)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9,13H,6,8,18H2;1H
InChIKeyYKSNCQRLDIAIJR-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2-(3-iodobutyl)naphthalene
CID 162353144
2-(5,5-difluoropentyl)naphthalene
CID 68979271
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
CID 57459119
CID 57459119
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
1,1,1-trifluoro-4-(3-nitrophenyl)butan-2-amine
CID 117047387
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride?
The IUPAC name of 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride (CID 117047105) is 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride.
What is the SMILES notation for 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride?
The canonical SMILES for 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride is Cl.NC(CCc1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride?
The InChIKey is YKSNCQRLDIAIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N.ClH/c15-14(16,17)13(18)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9,13H,6,8,18H2;1H.
What are the key properties of 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride?
1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride has a molecular weight of 289.73 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-amine;hydrochloride is sourced from PubChem (CID 117047105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).