(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine

C14H15F2N — CID 171313788

IUPAC(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)c2ccccc12
InChIInChI=1S/C14H15F2N/c1-9-6-7-12(13(17)8-14(15)16)11-5-3-2-4-10(9)11/h2-7,13-14H,8,17H2,1H3/t13-/m1/s1
InChIKeyJANOGQJMITWJQJ-CYBMUJFWSA-N
MW235.28 g/mol
LogP3.80
Rot. Bonds3

About (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine

(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 171313788) has the molecular formula C14H15F2N and a molecular weight of 235.28 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
PubChem CID171313788
Molecular FormulaC14H15F2N
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)c2ccccc12
InChIInChI=1S/C14H15F2N/c1-9-6-7-12(13(17)8-14(15)16)11-5-3-2-4-10(9)11/h2-7,13-14H,8,17H2,1H3/t13-/m1/s1
InChIKeyJANOGQJMITWJQJ-CYBMUJFWSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine (CID 171313788) is (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine is Cc1ccc([C@H](N)CC(F)F)c2ccccc12.
What is the InChIKey of (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is JANOGQJMITWJQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15F2N/c1-9-6-7-12(13(17)8-14(15)16)11-5-3-2-4-10(9)11/h2-7,13-14H,8,17H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine?
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine has a molecular weight of 235.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 171313788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).