N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine

C15H17FN2 — CID 113233091

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCc1cc(C)cc(C(C)Nc2cccc(F)n2)c1
InChIInChI=1S/C15H17FN2/c1-10-7-11(2)9-13(8-10)12(3)17-15-6-4-5-14(16)18-15/h4-9,12H,1-3H3,(H,17,18)
InChIKeyCPTTZYGOJNNLEY-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine

N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 113233091) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
PubChem CID113233091
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
SMILESCc1cc(C)cc(C(C)Nc2cccc(F)n2)c1
InChIInChI=1S/C15H17FN2/c1-10-7-11(2)9-13(8-10)12(3)17-15-6-4-5-14(16)18-15/h4-9,12H,1-3H3,(H,17,18)
InChIKeyCPTTZYGOJNNLEY-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.01
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

N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
6-fluoro-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridin-2-amine
CID 133274740
N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine
CID 115617458
N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
CID 60870792
N-[1-(4-bromo-2-chlorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 116813054
6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
CID 133291964
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine (CID 113233091) is N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine is Cc1cc(C)cc(C(C)Nc2cccc(F)n2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is CPTTZYGOJNNLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-7-11(2)9-13(8-10)12(3)17-15-6-4-5-14(16)18-15/h4-9,12H,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 244.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 113233091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).