N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine

C17H27NO2 — CID 115863794

IUPACN-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-10-18-16(11-13-6-5-7-13)15-9-8-14(19-2)12-17(15)20-3/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3
InChIKeySUSCQPGBGUUQPN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds8

About N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine

N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine (PubChem CID 115863794) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
PubChem CID115863794
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2/c1-4-10-18-16(11-13-6-5-7-13)15-9-8-14(19-2)12-17(15)20-3/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3
InChIKeySUSCQPGBGUUQPN-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986510
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
N-[2-cyclobutyl-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435492
N-[1-(2,4-dimethoxyphenyl)-2-ethylsulfonylethyl]propan-1-amine
CID 64644798
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine (CID 115863794) is N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine is CCCNC(CC1CCC1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine?
The InChIKey is SUSCQPGBGUUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-18-16(11-13-6-5-7-13)15-9-8-14(19-2)12-17(15)20-3/h8-9,12-13,16,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine?
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115863794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).