1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine

C15H23NO — CID 103902912

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1(C)CC1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(17-4)13(9-11)12(2)16-10-15(3)7-8-15/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyQQGJBDGJRAFWQC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine

1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 103902912) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
PubChem CID103902912
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1(C)CC1
InChIInChI=1S/C15H23NO/c1-11-5-6-14(17-4)13(9-11)12(2)16-10-15(3)7-8-15/h5-6,9,12,16H,7-8,10H2,1-4H3
InChIKeyQQGJBDGJRAFWQC-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 54976068

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine (CID 103902912) is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine is COc1ccc(C)cc1C(C)NCC1(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is QQGJBDGJRAFWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-6-14(17-4)13(9-11)12(2)16-10-15(3)7-8-15/h5-6,9,12,16H,7-8,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 103902912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).