3-[3-(2-methylphenoxy)propoxy]propan-1-amine

C13H21NO2 — CID 82353342

IUPAC3-[3-(2-methylphenoxy)propoxy]propan-1-amine
SMILESCc1ccccc1OCCCOCCCN
InChIInChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-11-5-10-15-9-4-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3
InChIKeyQCZOECVJWRSSSU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds8

About 3-[3-(2-methylphenoxy)propoxy]propan-1-amine

3-[3-(2-methylphenoxy)propoxy]propan-1-amine (PubChem CID 82353342) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[3-(2-methylphenoxy)propoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methylphenoxy)propoxy]propan-1-amine
PubChem CID82353342
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[3-(2-methylphenoxy)propoxy]propan-1-amine
SMILESCc1ccccc1OCCCOCCCN
InChIInChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-11-5-10-15-9-4-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3
InChIKeyQCZOECVJWRSSSU-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
3-[3-(4-chloro-2-methylphenoxy)propoxy]propan-1-amine
CID 82353373
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
3-[4-(2-methylphenoxy)butylsulfonyl]propan-1-amine
CID 82180142
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
1-methyl-2-pentadecoxybenzene
CID 154641785
ethane;1-methyl-2-pentoxybenzene
CID 143283195
4-(2-methylphenoxy)butane-1-thiol
CID 2063623
ethene;(2-methylphenoxy)methanamine
CID 174405951

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenoxy)propoxy]propan-1-amine?
The IUPAC name of 3-[3-(2-methylphenoxy)propoxy]propan-1-amine (CID 82353342) is 3-[3-(2-methylphenoxy)propoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methylphenoxy)propoxy]propan-1-amine?
The canonical SMILES for 3-[3-(2-methylphenoxy)propoxy]propan-1-amine is Cc1ccccc1OCCCOCCCN.
What is the InChIKey of 3-[3-(2-methylphenoxy)propoxy]propan-1-amine?
The InChIKey is QCZOECVJWRSSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12-6-2-3-7-13(12)16-11-5-10-15-9-4-8-14/h2-3,6-7H,4-5,8-11,14H2,1H3.
What are the key properties of 3-[3-(2-methylphenoxy)propoxy]propan-1-amine?
3-[3-(2-methylphenoxy)propoxy]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenoxy)propoxy]propan-1-amine is sourced from PubChem (CID 82353342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).