2-cyclopropyl-1-(3-methoxyphenyl)ethanamine

C12H17NO — CID 55295548

IUPAC2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CC2CC2)c1
InChIInChI=1S/C12H17NO/c1-14-11-4-2-3-10(8-11)12(13)7-9-5-6-9/h2-4,8-9,12H,5-7,13H2,1H3
InChIKeyBRYIOYRUJQGVDB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds4

About 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine

2-cyclopropyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 55295548) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
PubChem CID55295548
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CC2CC2)c1
InChIInChI=1S/C12H17NO/c1-14-11-4-2-3-10(8-11)12(13)7-9-5-6-9/h2-4,8-9,12H,5-7,13H2,1H3
InChIKeyBRYIOYRUJQGVDB-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
2-cyclopropyl-1-(3-methoxyphenyl)propan-1-amine
CID 115785759

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine (CID 55295548) is 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CC2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is BRYIOYRUJQGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-11-4-2-3-10(8-11)12(13)7-9-5-6-9/h2-4,8-9,12H,5-7,13H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine?
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 55295548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).