N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine

C18H22N2 — CID 116517426

IUPACN-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ncccc1C)C1CC1c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-19-18(17-13(2)8-7-11-20-17)16-12-15(16)14-9-5-4-6-10-14/h4-11,15-16,18-19H,3,12H2,1-2H3
InChIKeyPDIRBBILIREIBC-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.84
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 116517426) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID116517426
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ncccc1C)C1CC1c1ccccc1
InChIInChI=1S/C18H22N2/c1-3-19-18(17-13(2)8-7-11-20-17)16-12-15(16)14-9-5-4-6-10-14/h4-11,15-16,18-19H,3,12H2,1-2H3
InChIKeyPDIRBBILIREIBC-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 64776463
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(5-methylpyrimidin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 116517868
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[(5-methylpyrazin-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105189004
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-ethyl-1-(2-phenylcyclopropyl)-3-pyridin-3-ylpropan-1-amine
CID 105189087
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052701

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 116517426) is N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ncccc1C)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is PDIRBBILIREIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-19-18(17-13(2)8-7-11-20-17)16-12-15(16)14-9-5-4-6-10-14/h4-11,15-16,18-19H,3,12H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 116517426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).