3-(2-methylphenoxy)-N-propylpropan-1-amine

C13H21NO — CID 29015661

IUPAC3-(2-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-9-14-10-6-11-15-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3
InChIKeyFQAKQBFEZYPLIS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds7

About 3-(2-methylphenoxy)-N-propylpropan-1-amine

3-(2-methylphenoxy)-N-propylpropan-1-amine (PubChem CID 29015661) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-propylpropan-1-amine
PubChem CID29015661
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-methylphenoxy)-N-propylpropan-1-amine
SMILESCCCNCCCOc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-9-14-10-6-11-15-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3
InChIKeyFQAKQBFEZYPLIS-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-methylphenoxy)-N-propylpropan-1-amine (CID 29015661) is 3-(2-methylphenoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-methylphenoxy)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-methylphenoxy)-N-propylpropan-1-amine is CCCNCCCOc1ccccc1C.
What is the InChIKey of 3-(2-methylphenoxy)-N-propylpropan-1-amine?
The InChIKey is FQAKQBFEZYPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-9-14-10-6-11-15-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3.
What are the key properties of 3-(2-methylphenoxy)-N-propylpropan-1-amine?
3-(2-methylphenoxy)-N-propylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 29015661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).