1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine

C15H24N2O — CID 115256740

IUPAC1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCOc1c(C)c(C)cc(C)c1CNCC1(N)CC1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)13(14(18-4)12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyKQOJEDUNPBABII-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds5

About 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine

1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine (PubChem CID 115256740) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
PubChem CID115256740
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCOc1c(C)c(C)cc(C)c1CNCC1(N)CC1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)13(14(18-4)12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3
InChIKeyKQOJEDUNPBABII-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256643
N'-[(2-methoxy-3,4,6-trimethylphenyl)methyl]butane-1,4-diamine
CID 115201256
2-[(2-methoxy-3,4,6-trimethylphenyl)methylamino]acetamide
CID 115259952
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-3-methylaniline
CID 115256387
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine (CID 115256740) is 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine is COc1c(C)c(C)cc(C)c1CNCC1(N)CC1.
What is the InChIKey of 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine?
The InChIKey is KQOJEDUNPBABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-11(2)13(14(18-4)12(10)3)8-17-9-15(16)5-6-15/h7,17H,5-6,8-9,16H2,1-4H3.
What are the key properties of 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine?
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).