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

C14H22N2O — CID 116907348

IUPAC3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(C(C2CC(N)C2)N(C)C)c1
InChIInChI=1S/C14H22N2O/c1-16(2)14(11-7-12(15)8-11)10-5-4-6-13(9-10)17-3/h4-6,9,11-12,14H,7-8,15H2,1-3H3
InChIKeyXYGCQFKYXBTZOM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.04
Rot. Bonds4

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

3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 116907348) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
PubChem CID116907348
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cccc(C(C2CC(N)C2)N(C)C)c1
InChIInChI=1S/C14H22N2O/c1-16(2)14(11-7-12(15)8-11)10-5-4-6-13(9-10)17-3/h4-6,9,11-12,14H,7-8,15H2,1-3H3
InChIKeyXYGCQFKYXBTZOM-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116910975
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
[(3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232508
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
[(3-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191732
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine (CID 116907348) is 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine is COc1cccc(C(C2CC(N)C2)N(C)C)c1.
What is the InChIKey of 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is XYGCQFKYXBTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)14(11-7-12(15)8-11)10-5-4-6-13(9-10)17-3/h4-6,9,11-12,14H,7-8,15H2,1-3H3.
What are the key properties of 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine?
3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).