N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

C17H27NO3 — CID 116714856

IUPACN-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1)C1(OC)CCC1
InChIInChI=1S/C17H27NO3/c1-5-11-18-16(17(21-4)9-6-10-17)13-7-8-14(19-2)15(12-13)20-3/h7-8,12,16,18H,5-6,9-11H2,1-4H3
InChIKeyHBGJNRFNGJLGQS-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (PubChem CID 116714856) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
PubChem CID116714856
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)c(OC)c1)C1(OC)CCC1
InChIInChI=1S/C17H27NO3/c1-5-11-18-16(17(21-4)9-6-10-17)13-7-8-14(19-2)15(12-13)20-3/h7-8,12,16,18H,5-6,9-11H2,1-4H3
InChIKeyHBGJNRFNGJLGQS-UHFFFAOYSA-N
XLogP3.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(1-methoxycyclobutyl)-quinolin-6-ylmethyl]propan-1-amine
CID 116714935
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714651
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (CID 116714856) is N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)c(OC)c1)C1(OC)CCC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The InChIKey is HBGJNRFNGJLGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-11-18-16(17(21-4)9-6-10-17)13-7-8-14(19-2)15(12-13)20-3/h7-8,12,16,18H,5-6,9-11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 116714856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).