N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine

C18H22N2 — CID 115374513

IUPACN-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-3-20-17(15-11-14(2)12-19-13-15)18(9-10-18)16-7-5-4-6-8-16/h4-8,11-13,17,20H,3,9-10H2,1-2H3
InChIKeyMPRPDECMYUDOHW-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.77
Rot. Bonds5

About N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 115374513) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID115374513
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-3-20-17(15-11-14(2)12-19-13-15)18(9-10-18)16-7-5-4-6-8-16/h4-8,11-13,17,20H,3,9-10H2,1-2H3
InChIKeyMPRPDECMYUDOHW-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374920
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 115374513) is N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(c1cncc(C)c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is MPRPDECMYUDOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-20-17(15-11-14(2)12-19-13-15)18(9-10-18)16-7-5-4-6-8-16/h4-8,11-13,17,20H,3,9-10H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115374513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).