1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine

C15H25NO — CID 54930520

IUPAC1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
SMILESCCCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C15H25NO/c1-5-6-7-17-15-11(2)8-14(9-12(15)3)10-13(4)16/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyVNDAEGHINZIDIP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine

1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine (PubChem CID 54930520) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
PubChem CID54930520
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
SMILESCCCCOc1c(C)cc(CC(C)N)cc1C
InChIInChI=1S/C15H25NO/c1-5-6-7-17-15-11(2)8-14(9-12(15)3)10-13(4)16/h8-9,13H,5-7,10,16H2,1-4H3
InChIKeyVNDAEGHINZIDIP-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
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

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-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
methyl 4-[4-(2-aminopropyl)-2,6-dimethylphenoxy]butanoate
CID 60908291
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
1-[3,5-dimethyl-4-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 54930474
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-(5-bromo-2-heptoxy-3-methylphenyl)propan-2-amine
CID 115962769
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine (CID 54930520) is 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine is CCCCOc1c(C)cc(CC(C)N)cc1C.
What is the InChIKey of 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine?
The InChIKey is VNDAEGHINZIDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-7-17-15-11(2)8-14(9-12(15)3)10-13(4)16/h8-9,13H,5-7,10,16H2,1-4H3.
What are the key properties of 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine?
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 54930520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).