1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine

C15H25NO2 — CID 55020762

IUPAC1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
SMILESCc1cccc(C(OCCOC(C)C)C(C)N)c1
InChIInChI=1S/C15H25NO2/c1-11(2)17-8-9-18-15(13(4)16)14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9,16H2,1-4H3
InChIKeyCFRUXACJBYLTBX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.82
Rot. Bonds7

About 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine

1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine (PubChem CID 55020762) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
PubChem CID55020762
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
SMILESCc1cccc(C(OCCOC(C)C)C(C)N)c1
InChIInChI=1S/C15H25NO2/c1-11(2)17-8-9-18-15(13(4)16)14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9,16H2,1-4H3
InChIKeyCFRUXACJBYLTBX-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.82
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

1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-bromophenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55018053
1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473
1-(2-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020178
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine (CID 55020762) is 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine is Cc1cccc(C(OCCOC(C)C)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
The InChIKey is CFRUXACJBYLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)17-8-9-18-15(13(4)16)14-7-5-6-12(3)10-14/h5-7,10-11,13,15H,8-9,16H2,1-4H3.
What are the key properties of 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine?
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine is sourced from PubChem (CID 55020762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).