N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine

C13H19NO2 — CID 83229129

IUPACN-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNOC1CCCC1
InChIInChI=1S/C13H19NO2/c1-15-13-9-5-2-6-11(13)10-14-16-12-7-3-4-8-12/h2,5-6,9,12,14H,3-4,7-8,10H2,1H3
InChIKeyAMPIYGYWSRHIOH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine

N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine (PubChem CID 83229129) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
PubChem CID83229129
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNOC1CCCC1
InChIInChI=1S/C13H19NO2/c1-15-13-9-5-2-6-11(13)10-14-16-12-7-3-4-8-12/h2,5-6,9,12,14H,3-4,7-8,10H2,1H3
InChIKeyAMPIYGYWSRHIOH-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
N-cyclopentyloxy-1-(2,4-dimethoxyphenyl)methanamine
CID 83228718
N-cyclopentyloxy-1-(2,4,5-trimethoxyphenyl)methanamine
CID 83228531
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-cyclopentyloxy-1-(2-methoxynaphthalen-1-yl)methanamine
CID 83229536
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
1-(2-cycloheptyloxyethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111576248
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine (CID 83229129) is N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine?
The InChIKey is AMPIYGYWSRHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-9-5-2-6-11(13)10-14-16-12-7-3-4-8-12/h2,5-6,9,12,14H,3-4,7-8,10H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine?
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 83229129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).