N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H22FN3 — CID 62287465

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cccc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-13(2)19-11-16-5-4-6-17(20-16)21(3)12-14-7-9-15(18)10-8-14/h4-10,13,19H,11-12H2,1-3H3
InChIKeyDCZNMMGHECYYCJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine

N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62287465) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62287465
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cccc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3/c1-13(2)19-11-16-5-4-6-17(20-16)21(3)12-14-7-9-15(18)10-8-14/h4-10,13,19H,11-12H2,1-3H3
InChIKeyDCZNMMGHECYYCJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 62253214
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
CID 106906209
N-(cyclopropylmethyl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62284019
N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054776
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81075076
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
N-methyl-6-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284159
N-[(4-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62289425
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62287465) is N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cccc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is DCZNMMGHECYYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(2)19-11-16-5-4-6-17(20-16)21(3)12-14-7-9-15(18)10-8-14/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62287465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).