N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine

C16H25NO3 — CID 116714651

IUPACN-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)C1(OC)CCC1
InChIInChI=1S/C16H25NO3/c1-5-17-15(16(20-4)9-6-10-16)13-11-12(18-2)7-8-14(13)19-3/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyQPRSOGBDHVUZQN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.92
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine

N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 116714651) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID116714651
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)C1(OC)CCC1
InChIInChI=1S/C16H25NO3/c1-5-17-15(16(20-4)9-6-10-16)13-11-12(18-2)7-8-14(13)19-3/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyQPRSOGBDHVUZQN-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine (CID 116714651) is N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine is CCNC(c1cc(OC)ccc1OC)C1(OC)CCC1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is QPRSOGBDHVUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-17-15(16(20-4)9-6-10-16)13-11-12(18-2)7-8-14(13)19-3/h7-8,11,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 116714651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).