1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine

C13H19NO2 — CID 82239533

IUPAC1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)(N)C2CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(14,9-4-5-9)11-8-10(15-2)6-7-12(11)16-3/h6-9H,4-5,14H2,1-3H3
InChIKeyKOEIHBZDNBUSQE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds4

About 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine

1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 82239533) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
PubChem CID82239533
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)(N)C2CC2)c1
InChIInChI=1S/C13H19NO2/c1-13(14,9-4-5-9)11-8-10(15-2)6-7-12(11)16-3/h6-9H,4-5,14H2,1-3H3
InChIKeyKOEIHBZDNBUSQE-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 85875
(+-)-2,5-Dimethoxyamphetamine
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2,5-Dimethoxy-4-methylphenethylamine
CID 135740
4-Ethyl-2,5-dimethoxy-beta-phenethylamine
CID 24729233
2,5-Dimethoxyphenethylamine
CID 76632
2,5-Dimethoxy-4-ethylamphetamine
CID 27402
2,5-Dimethoxy-4-Methylamphetamine, (R)-
CID 11735949
2,5-Dimethoxyamphetamine hydrochloride
CID 62786
2,5-Dimethoxy-4-propylphenethylamine
CID 44350080
2-(2,5-Dimethoxyphenyl)pyrrolidine
CID 3489372
2,5-Dimethoxy-4-Methylamphetamine, (S)-
CID 11789033
2,5-Dimethoxy-4-butylamphetamine
CID 10060720

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine (CID 82239533) is 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine is COc1ccc(OC)c(C(C)(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is KOEIHBZDNBUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(14,9-4-5-9)11-8-10(15-2)6-7-12(11)16-3/h6-9H,4-5,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine?
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 82239533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).