N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine

C12H19NO — CID 82553666

IUPACN-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNC)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-7-14-12-6-5-11(9-13-3)10(2)8-12/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyYADVKINLUYTVAB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds5

About N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine

N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine (PubChem CID 82553666) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
PubChem CID82553666
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(CNC)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-7-14-12-6-5-11(9-13-3)10(2)8-12/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyYADVKINLUYTVAB-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-[(2,4-dimethylphenyl)methyl]-4-propoxyaniline
CID 63476952
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine (CID 82553666) is N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine is CCCOc1ccc(CNC)c(C)c1.
What is the InChIKey of N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine?
The InChIKey is YADVKINLUYTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-7-14-12-6-5-11(9-13-3)10(2)8-12/h5-6,8,13H,4,7,9H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine?
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine is sourced from PubChem (CID 82553666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).