[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine

C15H21NO2 — CID 117371168

IUPAC[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-13-4-2-3-12(15(10-16)7-8-15)14(13)18-9-11-5-6-11/h2-4,11H,5-10,16H2,1H3
InChIKeyGCGXEIPCQOVOKV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds6

About [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine

[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine (PubChem CID 117371168) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
PubChem CID117371168
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cccc(C2(CN)CC2)c1OCC1CC1
InChIInChI=1S/C15H21NO2/c1-17-13-4-2-3-12(15(10-16)7-8-15)14(13)18-9-11-5-6-11/h2-4,11H,5-10,16H2,1H3
InChIKeyGCGXEIPCQOVOKV-UHFFFAOYSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-[2-chloro-3-(cyclopropylmethoxy)phenyl]cyclopentyl]methanamine
CID 117448998
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
[1-[3-methoxy-2-(thietan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117448428
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118

Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine (CID 117371168) is [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine is COc1cccc(C2(CN)CC2)c1OCC1CC1.
What is the InChIKey of [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine?
The InChIKey is GCGXEIPCQOVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-4-2-3-12(15(10-16)7-8-15)14(13)18-9-11-5-6-11/h2-4,11H,5-10,16H2,1H3.
What are the key properties of [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine?
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117371168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).