N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H22FN3 — CID 62283918

IUPACN-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1cc(CNC(C)C)ccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-4-21(16-8-6-5-7-15(16)18)17-11-14(9-10-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyONQCASYQQGPIIN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62283918) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62283918
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1cc(CNC(C)C)ccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3/c1-4-21(16-8-6-5-7-15(16)18)17-11-14(9-10-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyONQCASYQQGPIIN-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283757
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 107401875
4-[(tert-butylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62292871
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80908328
N-methyl-N-[(2-methylphenyl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287039
N-ethyl-N-(2-fluorophenyl)-2-(methylaminomethyl)pyridin-4-amine
CID 62284078
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62283918) is N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(c1cc(CNC(C)C)ccn1)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is ONQCASYQQGPIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-21(16-8-6-5-7-15(16)18)17-11-14(9-10-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62283918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).