(2-cyclopentyloxy-3-methoxyphenyl)methanamine

C13H19NO2 — CID 43471488

IUPAC(2-cyclopentyloxy-3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN)c1OC1CCCC1
InChIInChI=1S/C13H19NO2/c1-15-12-8-4-5-10(9-14)13(12)16-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,14H2,1H3
InChIKeyJCPWWJQXMDKTAO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.48
Rot. Bonds4

About (2-cyclopentyloxy-3-methoxyphenyl)methanamine

(2-cyclopentyloxy-3-methoxyphenyl)methanamine (PubChem CID 43471488) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-cyclopentyloxy-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclopentyloxy-3-methoxyphenyl)methanamine
PubChem CID43471488
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2-cyclopentyloxy-3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN)c1OC1CCCC1
InChIInChI=1S/C13H19NO2/c1-15-12-8-4-5-10(9-14)13(12)16-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,14H2,1H3
InChIKeyJCPWWJQXMDKTAO-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-cyclobutyloxy-1-(isocyanatomethyl)-3-methoxybenzene
CID 117338039
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
(2S)-2-amino-N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]propanamide
CID 119324261
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-3-methoxyphenyl)methanamine?
The IUPAC name of (2-cyclopentyloxy-3-methoxyphenyl)methanamine (CID 43471488) is (2-cyclopentyloxy-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-cyclopentyloxy-3-methoxyphenyl)methanamine?
The canonical SMILES for (2-cyclopentyloxy-3-methoxyphenyl)methanamine is COc1cccc(CN)c1OC1CCCC1.
What is the InChIKey of (2-cyclopentyloxy-3-methoxyphenyl)methanamine?
The InChIKey is JCPWWJQXMDKTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-12-8-4-5-10(9-14)13(12)16-11-6-2-3-7-11/h4-5,8,11H,2-3,6-7,9,14H2,1H3.
What are the key properties of (2-cyclopentyloxy-3-methoxyphenyl)methanamine?
(2-cyclopentyloxy-3-methoxyphenyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxy-3-methoxyphenyl)methanamine is sourced from PubChem (CID 43471488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).