N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine

C18H29NO — CID 103435492

IUPACN-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H29NO/c1-5-11-19-17(12-15-7-6-8-15)16-10-9-13(2)14(3)18(16)20-4/h9-10,15,17,19H,5-8,11-12H2,1-4H3
InChIKeyTXVQNNLRJDPIML-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds7

About N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 103435492) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID103435492
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H29NO/c1-5-11-19-17(12-15-7-6-8-15)16-10-9-13(2)14(3)18(16)20-4/h9-10,15,17,19H,5-8,11-12H2,1-4H3
InChIKeyTXVQNNLRJDPIML-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103433867
N-[1-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103163338
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine (CID 103435492) is N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is TXVQNNLRJDPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-11-19-17(12-15-7-6-8-15)16-10-9-13(2)14(3)18(16)20-4/h9-10,15,17,19H,5-8,11-12H2,1-4H3.
What are the key properties of N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103435492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).