N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine

C14H21NO3 — CID 83228718

IUPACN-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNOC2CCCC2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-13-8-7-11(14(9-13)17-2)10-15-18-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyOFYDIDKFXUPOPV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.67
Rot. Bonds6

About N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine

N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine (PubChem CID 83228718) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
PubChem CID83228718
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNOC2CCCC2)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-16-13-8-7-11(14(9-13)17-2)10-15-18-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3
InChIKeyOFYDIDKFXUPOPV-UHFFFAOYSA-N
XLogP2.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine 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

2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(2,4-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 2852810
N-cyclopentyloxy-1-(3,5-dimethoxyphenyl)methanamine
CID 83229472
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
1-(2-cycloheptyloxyethyl)-3-[(2,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111575546
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine (CID 83228718) is N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine is COc1ccc(CNOC2CCCC2)c(OC)c1.
What is the InChIKey of N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is OFYDIDKFXUPOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-13-8-7-11(14(9-13)17-2)10-15-18-12-5-3-4-6-12/h7-9,12,15H,3-6,10H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine?
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 83228718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).