3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine

C16H25NO3 — CID 115892491

IUPAC3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCOc1cc(C(C)NC2CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-10-6-13(7-10)17-11(2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3
InChIKeyKPQUEPUDPSTSAJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds6

About 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine

3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine (PubChem CID 115892491) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
PubChem CID115892491
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCOc1cc(C(C)NC2CC(C)C2)cc(OC)c1OC
InChIInChI=1S/C16H25NO3/c1-10-6-13(7-10)17-11(2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3
InChIKeyKPQUEPUDPSTSAJ-UHFFFAOYSA-N
XLogP3.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
CID 63278271
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
CID 115335774
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine (CID 115892491) is 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine is COc1cc(C(C)NC2CC(C)C2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is KPQUEPUDPSTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10-6-13(7-10)17-11(2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3.
What are the key properties of 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine?
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 115892491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).