1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C17H28N2O2 — CID 105415755

IUPAC1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NCC2(N(C)C)CCC2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-13(18-12-17(19(2)3)9-6-10-17)15-8-7-14(20-4)11-16(15)21-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3
InChIKeyHGRRZXSBOQRWJN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds7

About 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415755) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415755
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NCC2(N(C)C)CCC2)c(OC)c1
InChIInChI=1S/C17H28N2O2/c1-13(18-12-17(19(2)3)9-6-10-17)15-8-7-14(20-4)11-16(15)21-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3
InChIKeyHGRRZXSBOQRWJN-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415550
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
(E)-N-[1-(2,4-dimethoxyphenyl)ethyl]pent-3-en-1-amine
CID 113348558
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
1-[[1-(2-bromo-4-fluorophenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 102613571

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415755) is 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is COc1ccc(C(C)NCC2(N(C)C)CCC2)c(OC)c1.
What is the InChIKey of 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is HGRRZXSBOQRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(18-12-17(19(2)3)9-6-10-17)15-8-7-14(20-4)11-16(15)21-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3.
What are the key properties of 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).