1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine

C10H14F2N2 — CID 102869888

IUPAC1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
SMILESCC(N[C@H](C)c1ccncc1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-7(14-8(2)10(11)12)9-3-5-13-6-4-9/h3-8,10,14H,1-2H3/t7-,8?/m1/s1
InChIKeyNJIUIJWKHHNXAZ-GVHYBUMESA-N
MW200.23 g/mol
LogP2.39
Rot. Bonds4

About 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine

1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine (PubChem CID 102869888) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
PubChem CID102869888
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
SMILESCC(N[C@H](C)c1ccncc1)C(F)F
InChIInChI=1S/C10H14F2N2/c1-7(14-8(2)10(11)12)9-3-5-13-6-4-9/h3-8,10,14H,1-2H3/t7-,8?/m1/s1
InChIKeyNJIUIJWKHHNXAZ-GVHYBUMESA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
3-methyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]butanoic acid
CID 103258930
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride
CID 42921481
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81380816
5-[1-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]benzene-1,3-diol
CID 107706948
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine (CID 102869888) is 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine is CC(N[C@H](C)c1ccncc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
The InChIKey is NJIUIJWKHHNXAZ-GVHYBUMESA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7(14-8(2)10(11)12)9-3-5-13-6-4-9/h3-8,10,14H,1-2H3/t7-,8?/m1/s1.
What are the key properties of 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine?
1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine has a molecular weight of 200.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine is sourced from PubChem (CID 102869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).