[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine

C13H20N2O2 — CID 116943372

IUPAC[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CC2)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-3-4-10(11(7-9)17-2)12(15)13(8-14)5-6-13/h3-4,7,12H,5-6,8,14-15H2,1-2H3
InChIKeyOAZWEBSHWCKIHR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds5

About [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine (PubChem CID 116943372) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
PubChem CID116943372
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CC2)c(OC)c1
InChIInChI=1S/C13H20N2O2/c1-16-9-3-4-10(11(7-9)17-2)12(15)13(8-14)5-6-13/h3-4,7,12H,5-6,8,14-15H2,1-2H3
InChIKeyOAZWEBSHWCKIHR-UHFFFAOYSA-N
XLogP1.44
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105145112
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116959584
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine (CID 116943372) is [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)C2(CN)CC2)c(OC)c1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is OAZWEBSHWCKIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-9-3-4-10(11(7-9)17-2)12(15)13(8-14)5-6-13/h3-4,7,12H,5-6,8,14-15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 116943372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).