1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

C18H22N2O — CID 105066142

IUPAC1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1OC)c1ccccc1C1CCC1
InChIInChI=1S/C18H22N2O/c1-19-18(16-10-11-20-12-17(16)21-2)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-13,18-19H,5-7H2,1-2H3
InChIKeyABNHDYJTAUVRTG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds5

About 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine

1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (PubChem CID 105066142) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
PubChem CID105066142
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccncc1OC)c1ccccc1C1CCC1
InChIInChI=1S/C18H22N2O/c1-19-18(16-10-11-20-12-17(16)21-2)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-13,18-19H,5-7H2,1-2H3
InChIKeyABNHDYJTAUVRTG-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclobutylphenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114604437
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(2-cyclobutylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 114604500
1-(2-cyclobutylphenyl)-2-methoxy-N-methylpropan-1-amine
CID 114603918
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
[(3-chloro-4-pyridinyl)-(2-cyclobutylphenyl)methyl]hydrazine
CID 105341397
1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066138
1-cyclopentyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065154
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841398
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804
1-(2-cyclobutylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105188892

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine (CID 105066142) is 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is CNC(c1ccncc1OC)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
The InChIKey is ABNHDYJTAUVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19-18(16-10-11-20-12-17(16)21-2)15-9-4-3-8-14(15)13-6-5-7-13/h3-4,8-13,18-19H,5-7H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine?
1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105066142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).