N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

C18H22N2O — CID 79158616

IUPACN-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cccc(COc2ccc(C)nc2CNC2CC2)c1
InChIInChI=1S/C18H22N2O/c1-13-4-3-5-15(10-13)12-21-18-9-6-14(2)20-17(18)11-19-16-7-8-16/h3-6,9-10,16,19H,7-8,11-12H2,1-2H3
InChIKeyOJYVJPFABZDCPB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds6

About N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79158616) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79158616
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cccc(COc2ccc(C)nc2CNC2CC2)c1
InChIInChI=1S/C18H22N2O/c1-13-4-3-5-15(10-13)12-21-18-9-6-14(2)20-17(18)11-19-16-7-8-16/h3-6,9-10,16,19H,7-8,11-12H2,1-2H3
InChIKeyOJYVJPFABZDCPB-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
N-[[3-[(2-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156390
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
N-[[6-methyl-3-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79158297
N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156979
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151507
N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 79158616) is N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is Cc1cccc(COc2ccc(C)nc2CNC2CC2)c1.
What is the InChIKey of N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is OJYVJPFABZDCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-4-3-5-15(10-13)12-21-18-9-6-14(2)20-17(18)11-19-16-7-8-16/h3-6,9-10,16,19H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79158616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).