(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine

C15H16F2N2 — CID 115524164

IUPAC(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1ccc(C(F)F)cc1)c1cccnc1
InChIInChI=1S/C15H16F2N2/c1-11(14-3-2-8-18-10-14)19-9-12-4-6-13(7-5-12)15(16)17/h2-8,10-11,15,19H,9H2,1H3/t11-/m1/s1
InChIKeyBFGSGVZOYSBCRQ-LLVKDONJSA-N
MW262.30 g/mol
LogP3.87
Rot. Bonds5

About (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine

(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine (PubChem CID 115524164) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
PubChem CID115524164
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1ccc(C(F)F)cc1)c1cccnc1
InChIInChI=1S/C15H16F2N2/c1-11(14-3-2-8-18-10-14)19-9-12-4-6-13(7-5-12)15(16)17/h2-8,10-11,15,19H,9H2,1H3/t11-/m1/s1
InChIKeyBFGSGVZOYSBCRQ-LLVKDONJSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1S)-N-[(4-bromo-3-chlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102978047
2-fluoro-4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 106699718

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine (CID 115524164) is (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine is C[C@@H](NCc1ccc(C(F)F)cc1)c1cccnc1.
What is the InChIKey of (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
The InChIKey is BFGSGVZOYSBCRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-11(14-3-2-8-18-10-14)19-9-12-4-6-13(7-5-12)15(16)17/h2-8,10-11,15,19H,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine?
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine has a molecular weight of 262.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 115524164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).