3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine

C16H26N2O — CID 115214350

IUPAC3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CCN(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-8-13(4-5-16(12)19-3)6-7-18(2)11-14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3
InChIKeyOVRQOERHCUOQOW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.22
Rot. Bonds6

About 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine

3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214350) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
PubChem CID115214350
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
SMILESCOc1ccc(CCN(C)CC2CC(N)C2)cc1C
InChIInChI=1S/C16H26N2O/c1-12-8-13(4-5-16(12)19-3)6-7-18(2)11-14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3
InChIKeyOVRQOERHCUOQOW-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042778
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine (CID 115214350) is 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine is COc1ccc(CCN(C)CC2CC(N)C2)cc1C.
What is the InChIKey of 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
The InChIKey is OVRQOERHCUOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-8-13(4-5-16(12)19-3)6-7-18(2)11-14-9-15(17)10-14/h4-5,8,14-15H,6-7,9-11,17H2,1-3H3.
What are the key properties of 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine?
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).