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

C15H23NO — CID 66025990

IUPACN-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C15H23NO/c1-4-16-11-15(7-8-15)10-13-9-12(2)5-6-14(13)17-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyDWISHKJURGUNIB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.94
Rot. Bonds6

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

N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine (PubChem CID 66025990) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
PubChem CID66025990
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(C)ccc2OC)CC1
InChIInChI=1S/C15H23NO/c1-4-16-11-15(7-8-15)10-13-9-12(2)5-6-14(13)17-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3
InChIKeyDWISHKJURGUNIB-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65196166
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
[3-[(2-methoxy-5-methylphenyl)methyl]oxolan-3-yl]methanol
CID 66059005
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methoxy-5-methylphenyl)methanamine
CID 103838733
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
[1-[(2-methoxy-5-methylphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65423317
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine (CID 66025990) is N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine is CCNCC1(Cc2cc(C)ccc2OC)CC1.
What is the InChIKey of N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
The InChIKey is DWISHKJURGUNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-11-15(7-8-15)10-13-9-12(2)5-6-14(13)17-3/h5-6,9,16H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine?
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66025990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).