3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine

C15H23NO2 — CID 117377475

IUPAC3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
SMILESCOc1cccc(C(C)CCN)c1OCC1CC1
InChIInChI=1S/C15H23NO2/c1-11(8-9-16)13-4-3-5-14(17-2)15(13)18-10-12-6-7-12/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyJINPRVGSRQPZJX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.94
Rot. Bonds7

About 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine

3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine (PubChem CID 117377475) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
PubChem CID117377475
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
SMILESCOc1cccc(C(C)CCN)c1OCC1CC1
InChIInChI=1S/C15H23NO2/c1-11(8-9-16)13-4-3-5-14(17-2)15(13)18-10-12-6-7-12/h3-5,11-12H,6-10,16H2,1-2H3
InChIKeyJINPRVGSRQPZJX-UHFFFAOYSA-N
XLogP2.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
3-(2-ethoxy-6-methoxyphenyl)butan-1-amine
CID 117320562
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine?
The IUPAC name of 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine (CID 117377475) is 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine is COc1cccc(C(C)CCN)c1OCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine?
The InChIKey is JINPRVGSRQPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(8-9-16)13-4-3-5-14(17-2)15(13)18-10-12-6-7-12/h3-5,11-12H,6-10,16H2,1-2H3.
What are the key properties of 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine?
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine is sourced from PubChem (CID 117377475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).