2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine

C12H19NO2 — CID 83884513

IUPAC2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1ccc(OC)c(C(C)CN)c1
InChIInChI=1S/C12H19NO2/c1-9(7-13)11-6-10(8-14-2)4-5-12(11)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyBZMDJLDQXAPXPP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine

2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine (PubChem CID 83884513) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
PubChem CID83884513
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
SMILESCOCc1ccc(OC)c(C(C)CN)c1
InChIInChI=1S/C12H19NO2/c1-9(7-13)11-6-10(8-14-2)4-5-12(11)15-3/h4-6,9H,7-8,13H2,1-3H3
InChIKeyBZMDJLDQXAPXPP-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
3-(1-aminopropan-2-yl)-4-methoxyaniline
CID 84657534
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-amine
CID 117339337

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine (CID 83884513) is 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine is COCc1ccc(OC)c(C(C)CN)c1.
What is the InChIKey of 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine?
The InChIKey is BZMDJLDQXAPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(7-13)11-6-10(8-14-2)4-5-12(11)15-3/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine?
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 83884513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).