1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine

C14H22N2O — CID 117341162

IUPAC1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CN(C)C)cccc1CC1(N)CC1
InChIInChI=1S/C14H22N2O/c1-16(2)10-12-6-4-5-11(13(12)17-3)9-14(15)7-8-14/h4-6H,7-10,15H2,1-3H3
InChIKeyQEIIRIAQWCCCMO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.79
Rot. Bonds5

About 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine

1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine (PubChem CID 117341162) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
PubChem CID117341162
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CN(C)C)cccc1CC1(N)CC1
InChIInChI=1S/C14H22N2O/c1-16(2)10-12-6-4-5-11(13(12)17-3)9-14(15)7-8-14/h4-6H,7-10,15H2,1-3H3
InChIKeyQEIIRIAQWCCCMO-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
CID 117411111
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
1-[(2-methoxy-3-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117455653
1-[2-methoxy-3-(2-methylpyrrolidin-2-yl)phenyl]-N,N-dimethylmethanamine
CID 115004398
1-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-amine
CID 117342410
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
1-[[3-methoxy-2-(thiolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117448469
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117316180
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine (CID 117341162) is 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine is COc1c(CN(C)C)cccc1CC1(N)CC1.
What is the InChIKey of 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The InChIKey is QEIIRIAQWCCCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)10-12-6-4-5-11(13(12)17-3)9-14(15)7-8-14/h4-6H,7-10,15H2,1-3H3.
What are the key properties of 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine?
1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117341162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).