3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine

C16H26N2O — CID 116907306

IUPAC3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCCOc1ccc(C(C2CC(N)C2)N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-19-15-7-6-12(8-11(15)2)16(18(3)4)13-9-14(17)10-13/h6-8,13-14,16H,5,9-10,17H2,1-4H3
InChIKeyMQWHEPTZBJAIAC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.73
Rot. Bonds5

About 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine

3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116907306) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID116907306
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
SMILESCCOc1ccc(C(C2CC(N)C2)N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-19-15-7-6-12(8-11(15)2)16(18(3)4)13-9-14(17)10-13/h6-8,13-14,16H,5,9-10,17H2,1-4H3
InChIKeyMQWHEPTZBJAIAC-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
4-N-(4-ethoxy-3-methylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149765
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
CID 116911342
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine (CID 116907306) is 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine is CCOc1ccc(C(C2CC(N)C2)N(C)C)cc1C.
What is the InChIKey of 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is MQWHEPTZBJAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-19-15-7-6-12(8-11(15)2)16(18(3)4)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-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine?
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).