N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine

C14H15FN2 — CID 106900550

IUPACN-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
SMILESCCc1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C14H15FN2/c1-2-11-3-5-12(6-4-11)10-17-13-7-8-16-14(15)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyIDRLNNXUQIVLQU-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.40
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine

N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine (PubChem CID 106900550) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
PubChem CID106900550
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC NameN-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
SMILESCCc1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C14H15FN2/c1-2-11-3-5-12(6-4-11)10-17-13-7-8-16-14(15)9-13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyIDRLNNXUQIVLQU-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridin-4-amine
CID 106901053
2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
CID 106192668
N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
CID 106197172
4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149289
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
CID 104592076
6-bromo-N-[(4-ethylphenyl)methyl]naphthalen-2-amine
CID 81266198
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine (CID 106900550) is N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine is CCc1ccc(CNc2ccnc(F)c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine?
The InChIKey is IDRLNNXUQIVLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-2-11-3-5-12(6-4-11)10-17-13-7-8-16-14(15)9-13/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine?
N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine has a molecular weight of 230.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine is sourced from PubChem (CID 106900550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).