N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine

C17H22N2OS — CID 79156979

IUPACN-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(COc2ccc(C)nc2CNC2CC2)s1
InChIInChI=1S/C17H22N2OS/c1-3-14-7-8-15(21-14)11-20-17-9-4-12(2)19-16(17)10-18-13-5-6-13/h4,7-9,13,18H,3,5-6,10-11H2,1-2H3
InChIKeyKIQJPLMQOWAANE-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.84
Rot. Bonds7

About N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine

N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79156979) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79156979
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
SMILESCCc1ccc(COc2ccc(C)nc2CNC2CC2)s1
InChIInChI=1S/C17H22N2OS/c1-3-14-7-8-15(21-14)11-20-17-9-4-12(2)19-16(17)10-18-13-5-6-13/h4,7-9,13,18H,3,5-6,10-11H2,1-2H3
InChIKeyKIQJPLMQOWAANE-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157744
[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79168779
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
N-[[6-methyl-3-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79158297
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79158616
N-[[3-[(2-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156390
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine (CID 79156979) is N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine is CCc1ccc(COc2ccc(C)nc2CNC2CC2)s1.
What is the InChIKey of N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KIQJPLMQOWAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-14-7-8-15(21-14)11-20-17-9-4-12(2)19-16(17)10-18-13-5-6-13/h4,7-9,13,18H,3,5-6,10-11H2,1-2H3.
What are the key properties of N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79156979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).