N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C16H20FN3 — CID 105073352

IUPACN-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-12(2)19-10-13-8-9-18-11-16(13)20(3)15-6-4-14(17)5-7-15/h4-9,11-12,19H,10H2,1-3H3
InChIKeyHLHDPCMNJZAHBP-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.49
Rot. Bonds5

About N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105073352) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105073352
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-12(2)19-10-13-8-9-18-11-16(13)20(3)15-6-4-14(17)5-7-15/h4-9,11-12,19H,10H2,1-3H3
InChIKeyHLHDPCMNJZAHBP-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249525
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
N-methyl-N-(4-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073614
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62293187
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295297
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 105074234

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105073352) is N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CC(C)NCc1ccncc1N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is HLHDPCMNJZAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(2)19-10-13-8-9-18-11-16(13)20(3)15-6-4-14(17)5-7-15/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 273.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).