4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine

C17H22FN3 — CID 62292871

IUPAC4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1cc(CNC(C)(C)C)ccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-17(2,3)20-12-13-9-10-19-16(11-13)21(4)15-8-6-5-7-14(15)18/h5-11,20H,12H2,1-4H3
InChIKeyYCTVAPIDIDOTDJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.88
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine

4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine (PubChem CID 62292871) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
PubChem CID62292871
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1cc(CNC(C)(C)C)ccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-17(2,3)20-12-13-9-10-19-16(11-13)21(4)15-8-6-5-7-14(15)18/h5-11,20H,12H2,1-4H3
InChIKeyYCTVAPIDIDOTDJ-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295514
N-butan-2-yl-4-[(tert-butylamino)methyl]-N-methylpyridin-2-amine
CID 62279317
5-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970975
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
4-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62289206
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80817458
4-[(tert-butylamino)methyl]-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 62282950
4-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 62282920
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 63657128
4-[(tert-butylamino)methyl]-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 62293920
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026010
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine (CID 62292871) is 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine is CN(c1cc(CNC(C)(C)C)ccn1)c1ccccc1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The InChIKey is YCTVAPIDIDOTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-17(2,3)20-12-13-9-10-19-16(11-13)21(4)15-8-6-5-7-14(15)18/h5-11,20H,12H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62292871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).