N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine

C14H21NO — CID 61223569

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C)cc1CNC1CC1(C)C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)9-15-13-8-14(13,2)3/h5-7,13,15H,8-9H2,1-4H3
InChIKeyFIIOWFVNTXGDMO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine

N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 61223569) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID61223569
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C)cc1CNC1CC1(C)C
InChIInChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)9-15-13-8-14(13,2)3/h5-7,13,15H,8-9H2,1-4H3
InChIKeyFIIOWFVNTXGDMO-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 64988157
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methoxy-5-methylphenyl)methanamine
CID 103838733
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine (CID 61223569) is N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine is COc1ccc(C)cc1CNC1CC1(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is FIIOWFVNTXGDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-12(16-4)11(7-10)9-15-13-8-14(13,2)3/h5-7,13,15H,8-9H2,1-4H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine?
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 61223569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).