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

C15H24N2O2 — CID 116912259

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(N(C)C)C2(CN)CC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14(15(10-16)7-8-15)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14H,7-8,10,16H2,1-4H3
InChIKeyMWQHGYWTQOVQCA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.05
Rot. Bonds6

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

1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 116912259) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
PubChem CID116912259
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(N(C)C)C2(CN)CC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14(15(10-16)7-8-15)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14H,7-8,10,16H2,1-4H3
InChIKeyMWQHGYWTQOVQCA-UHFFFAOYSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912282
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116959584
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine (CID 116912259) is 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine is COc1ccc(C(N(C)C)C2(CN)CC2)c(OC)c1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is MWQHGYWTQOVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)14(15(10-16)7-8-15)12-6-5-11(18-3)9-13(12)19-4/h5-6,9,14H,7-8,10,16H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116912259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).