N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C17H27NO2 — CID 81023599

IUPACN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CCC2CNCC(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-11-14-5-7-15(14)13-6-8-16(19-3)17(9-13)20-4/h6,8-9,12,14-15,18H,5,7,10-11H2,1-4H3
InChIKeyNRCQYZLNEALAHF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds7

About N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 81023599) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID81023599
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CCC2CNCC(C)C)cc1OC
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-11-14-5-7-15(14)13-6-8-16(19-3)17(9-13)20-4/h6,8-9,12,14-15,18H,5,7,10-11H2,1-4H3
InChIKeyNRCQYZLNEALAHF-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
2-methyl-N-[[2-(4-propoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 81023460
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79367996

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 81023599) is N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is COc1ccc(C2CCC2CNCC(C)C)cc1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NRCQYZLNEALAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)10-18-11-14-5-7-15(14)13-6-8-16(19-3)17(9-13)20-4/h6,8-9,12,14-15,18H,5,7,10-11H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81023599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).