N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine

C17H21FN2 — CID 103779314

IUPACN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-12-6-4-5-7-15(12)8-13(2)20-14(3)16-9-17(18)11-19-10-16/h4-7,9-11,13-14,20H,8H2,1-3H3
InChIKeyCAWHGVWSGFFFBN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine

N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 103779314) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID103779314
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C17H21FN2/c1-12-6-4-5-7-15(12)8-13(2)20-14(3)16-9-17(18)11-19-10-16/h4-7,9-11,13-14,20H,8H2,1-3H3
InChIKeyCAWHGVWSGFFFBN-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 63449736
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 103776057
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 54864150
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
(1R)-1-(3-chlorophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103578530
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 103777480

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine (CID 103779314) is N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NC(C)c1cncc(F)c1.
What is the InChIKey of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is CAWHGVWSGFFFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-6-4-5-7-15(12)8-13(2)20-14(3)16-9-17(18)11-19-10-16/h4-7,9-11,13-14,20H,8H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine?
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 272.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 103779314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).