N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine

C11H17FN2 — CID 115757254

IUPACN-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ncccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,3)8-13-7-10-9(12)5-4-6-14-10/h4-6,13H,7-8H2,1-3H3
InChIKeyRSKOJBAPSNXBHA-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.36
Rot. Bonds3

About N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine

N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 115757254) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID115757254
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ncccc1F
InChIInChI=1S/C11H17FN2/c1-11(2,3)8-13-7-10-9(12)5-4-6-14-10/h4-6,13H,7-8H2,1-3H3
InChIKeyRSKOJBAPSNXBHA-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-2-amine
CID 75431488
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115757243
1-(3-fluoro-2-pyridinyl)-N-methylpropan-2-amine
CID 63199828
N-[(3-fluoro-2-pyridinyl)methyl]pentan-2-amine
CID 115895270
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
1-[5-(difluoromethyl)-2-pyridinyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanamine
CID 168750210
2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
CID 63204105
N-[(3-fluoro-2-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 115757282
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127
N-[(3-fluoro-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 115757258

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine (CID 115757254) is N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1ncccc1F.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is RSKOJBAPSNXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-11(2,3)8-13-7-10-9(12)5-4-6-14-10/h4-6,13H,7-8H2,1-3H3.
What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115757254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).