N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine

C16H25NO2 — CID 112519518

IUPACN-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1cc(C)c(C2(CNC(C)C)CC2)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-11(2)17-10-16(6-7-16)15-12(3)8-13(18-4)9-14(15)19-5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyJGAPVQYGGXQPBN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds6

About N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 112519518) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID112519518
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1cc(C)c(C2(CNC(C)C)CC2)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-11(2)17-10-16(6-7-16)15-12(3)8-13(18-4)9-14(15)19-5/h8-9,11,17H,6-7,10H2,1-5H3
InChIKeyJGAPVQYGGXQPBN-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-2-amine
CID 116869883
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
3-[3-(2,4-dimethoxy-6-methylphenyl)oxetan-3-yl]propan-1-amine
CID 116870101
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594249
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine (CID 112519518) is N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine is COc1cc(C)c(C2(CNC(C)C)CC2)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is JGAPVQYGGXQPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)17-10-16(6-7-16)15-12(3)8-13(18-4)9-14(15)19-5/h8-9,11,17H,6-7,10H2,1-5H3.
What are the key properties of N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 112519518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).