(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride

C14H15ClF3NO — CID 171212938

IUPAC(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CC(F)(F)F.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-19-12-7-6-9-4-2-3-5-10(9)13(12)11(18)8-14(15,16)17;/h2-7,11H,8,18H2,1H3;1H/t11-;/m1./s1
InChIKeyOIUNDYPRXSUSLP-RFVHGSKJSA-N
MW305.73 g/mol
LogP4.22
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride

(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride (PubChem CID 171212938) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
PubChem CID171212938
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CC(F)(F)F.Cl
InChIInChI=1S/C14H14F3NO.ClH/c1-19-12-7-6-9-4-2-3-5-10(9)13(12)11(18)8-14(15,16)17;/h2-7,11H,8,18H2,1H3;1H/t11-;/m1./s1
InChIKeyOIUNDYPRXSUSLP-RFVHGSKJSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
CID 171212454
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
CID 171260616
(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(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
1-[(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171172510

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride (CID 171212938) is (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride is COc1ccc2ccccc2c1[C@H](N)CC(F)(F)F.Cl.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride?
The InChIKey is OIUNDYPRXSUSLP-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H14F3NO.ClH/c1-19-12-7-6-9-4-2-3-5-10(9)13(12)11(18)8-14(15,16)17;/h2-7,11H,8,18H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride?
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171212938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).