2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine

C14H16FN3 — CID 62300674

IUPAC2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1cccc(F)c1)c1ccnc(CN)c1
InChIInChI=1S/C14H16FN3/c1-18(10-11-3-2-4-12(15)7-11)14-5-6-17-13(8-14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyBMQWAFHDTTZJED-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.32
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine

2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine (PubChem CID 62300674) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
PubChem CID62300674
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1cccc(F)c1)c1ccnc(CN)c1
InChIInChI=1S/C14H16FN3/c1-18(10-11-3-2-4-12(15)7-11)14-5-6-17-13(8-14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyBMQWAFHDTTZJED-UHFFFAOYSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
2-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 61413503
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
CID 63784239
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
CID 79255179
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine (CID 62300674) is 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine is CN(Cc1cccc(F)c1)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine?
The InChIKey is BMQWAFHDTTZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-18(10-11-3-2-4-12(15)7-11)14-5-6-17-13(8-14)9-16/h2-8H,9-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine?
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine has a molecular weight of 245.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 62300674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).