1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine

C15H23NO — CID 54930474

IUPAC1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(C)COc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C15H23NO/c1-10(2)9-17-15-11(3)6-14(7-12(15)4)8-13(5)16/h6-7,13H,1,8-9,16H2,2-5H3
InChIKeyIGIGJXQGLRLJCS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.15
Rot. Bonds5

About 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine

1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine (PubChem CID 54930474) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
PubChem CID54930474
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
SMILESC=C(C)COc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C15H23NO/c1-10(2)9-17-15-11(3)6-14(7-12(15)4)8-13(5)16/h6-7,13H,1,8-9,16H2,2-5H3
InChIKeyIGIGJXQGLRLJCS-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
1-[3,5-dimethyl-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64565529
1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 82077181
methyl 4-[4-(2-aminopropyl)-2,6-dimethylphenoxy]butanoate
CID 60908291
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine
CID 10270525
1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine (CID 54930474) is 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine is C=C(C)COc1c(C)cc(CC(C)N)cc1C.
What is the InChIKey of 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
The InChIKey is IGIGJXQGLRLJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)9-17-15-11(3)6-14(7-12(15)4)8-13(5)16/h6-7,13H,1,8-9,16H2,2-5H3.
What are the key properties of 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine?
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine is sourced from PubChem (CID 54930474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).