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

C14H21NO2 — CID 117343380

IUPAC2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
SMILESCOc1cccc(C(C)CN)c1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-10(8-15)12-4-3-5-13(16-2)14(12)17-9-11-6-7-11/h3-5,10-11H,6-9,15H2,1-2H3
InChIKeySAZJBDFTGKUISC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds6

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

2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine (PubChem CID 117343380) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
PubChem CID117343380
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
SMILESCOc1cccc(C(C)CN)c1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-10(8-15)12-4-3-5-13(16-2)14(12)17-9-11-6-7-11/h3-5,10-11H,6-9,15H2,1-2H3
InChIKeySAZJBDFTGKUISC-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
CID 117499898
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine (CID 117343380) is 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine is COc1cccc(C(C)CN)c1OCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The InChIKey is SAZJBDFTGKUISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(8-15)12-4-3-5-13(16-2)14(12)17-9-11-6-7-11/h3-5,10-11H,6-9,15H2,1-2H3.
What are the key properties of 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 117343380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).