(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine

C15H16F3NO — CID 171212939

IUPAC(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
SMILESCOc1ccc2ccccc2c1[C@H](N)CCC(F)(F)F
InChIInChI=1S/C15H16F3NO/c1-20-13-7-6-10-4-2-3-5-11(10)14(13)12(19)8-9-15(16,17)18/h2-7,12H,8-9,19H2,1H3/t12-/m1/s1
InChIKeyASMOTJYNJAOQSN-GFCCVEGCSA-N
MW283.29 g/mol
LogP4.19
Rot. Bonds4

About (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine

(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine (PubChem CID 171212939) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
PubChem CID171212939
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
SMILESCOc1ccc2ccccc2c1[C@H](N)CCC(F)(F)F
InChIInChI=1S/C15H16F3NO/c1-20-13-7-6-10-4-2-3-5-11(10)14(13)12(19)8-9-15(16,17)18/h2-7,12H,8-9,19H2,1H3/t12-/m1/s1
InChIKeyASMOTJYNJAOQSN-GFCCVEGCSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007

Frequently Asked Questions

What is the IUPAC name of (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine?
The IUPAC name of (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine (CID 171212939) is (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine?
The canonical SMILES for (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine is COc1ccc2ccccc2c1[C@H](N)CCC(F)(F)F.
What is the InChIKey of (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine?
The InChIKey is ASMOTJYNJAOQSN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-20-13-7-6-10-4-2-3-5-11(10)14(13)12(19)8-9-15(16,17)18/h2-7,12H,8-9,19H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine?
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine has a molecular weight of 283.29 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 171212939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).