3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine

C16H26N2O — CID 116907304

IUPAC3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCCc1cc(C(C2CC(N)C2)N(C)C)ccc1OC
InChIInChI=1S/C16H26N2O/c1-5-11-8-12(6-7-15(11)19-4)16(18(2)3)13-9-14(17)10-13/h6-8,13-14,16H,5,9-10,17H2,1-4H3
InChIKeyZPFWVHMBSJHPFO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds5

About 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine

3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 116907304) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID116907304
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCCc1cc(C(C2CC(N)C2)N(C)C)ccc1OC
InChIInChI=1S/C16H26N2O/c1-5-11-8-12(6-7-15(11)19-4)16(18(2)3)13-9-14(17)10-13/h6-8,13-14,16H,5,9-10,17H2,1-4H3
InChIKeyZPFWVHMBSJHPFO-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907348
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766
3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 112516911
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
4-(dimethylamino)-2-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 112508618
1-(3-ethyl-4-methoxyphenyl)-1-N,1-N,2-N,2-tetramethylpropane-1,2-diamine
CID 116908524

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine (CID 116907304) is 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine is CCc1cc(C(C2CC(N)C2)N(C)C)ccc1OC.
What is the InChIKey of 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is ZPFWVHMBSJHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-11-8-12(6-7-15(11)19-4)16(18(2)3)13-9-14(17)10-13/h6-8,13-14,16H,5,9-10,17H2,1-4H3.
What are the key properties of 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine?
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).