N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine

C15H23NO — CID 114199448

IUPACN-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine
SMILESCNCC1(Oc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C15H23NO/c1-11(2)13-6-5-12(3)9-14(13)17-15(7-8-15)10-16-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyABVSTUDSEOQYMA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine

N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine (PubChem CID 114199448) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine
PubChem CID114199448
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine
SMILESCNCC1(Oc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C15H23NO/c1-11(2)13-6-5-12(3)9-14(13)17-15(7-8-15)10-16-4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyABVSTUDSEOQYMA-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
CID 103273552
N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 114199554
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
ethyl (5-methyl-2-propan-2-ylphenyl) carbonate
CID 162444144
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-N-methylmethanamine
CID 43282865
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
2-[2,2-dichloro-1-fluoro-1-(5-methyl-2-propan-2-ylphenoxy)ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 155930094

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine (CID 114199448) is N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine is CNCC1(Oc2cc(C)ccc2C(C)C)CC1.
What is the InChIKey of N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine?
The InChIKey is ABVSTUDSEOQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)13-6-5-12(3)9-14(13)17-15(7-8-15)10-16-4/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine?
N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methyl-2-propan-2-ylphenoxy)cyclopropyl]methanamine is sourced from PubChem (CID 114199448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).