[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine

C14H21NO3 — CID 94690530

IUPAC[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
SMILESCOc1cc(OC)cc(OC2(CN)CCCC2)c1
InChIInChI=1S/C14H21NO3/c1-16-11-7-12(17-2)9-13(8-11)18-14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyNZUIVPBXMSMDKT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.35
Rot. Bonds5

About [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine

[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine (PubChem CID 94690530) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
PubChem CID94690530
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine
SMILESCOc1cc(OC)cc(OC2(CN)CCCC2)c1
InChIInChI=1S/C14H21NO3/c1-16-11-7-12(17-2)9-13(8-11)18-14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
InChIKeyNZUIVPBXMSMDKT-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
[1-(3-ethoxyphenoxy)cyclohexyl]methanamine
CID 94689943
[1-(4-ethylphenoxy)cyclohexyl]methanamine
CID 82129126
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexyl]methanamine
CID 82892218
[1-(3-propan-2-ylphenoxy)cyclohexyl]methanamine
CID 82131016
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate
CID 21470643
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine?
The IUPAC name of [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine (CID 94690530) is [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine is COc1cc(OC)cc(OC2(CN)CCCC2)c1.
What is the InChIKey of [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine?
The InChIKey is NZUIVPBXMSMDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-11-7-12(17-2)9-13(8-11)18-14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3.
What are the key properties of [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine?
[1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxyphenoxy)cyclopentyl]methanamine is sourced from PubChem (CID 94690530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).