4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine

C15H25NO — CID 62318913

IUPAC4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1cc(C)cc(C)c1)COC
InChIInChI=1S/C15H25NO/c1-5-16-15(11-17-4)7-6-14-9-12(2)8-13(3)10-14/h8-10,15-16H,5-7,11H2,1-4H3
InChIKeyKDPFZFQYAQLGGS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds7

About 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine

4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine (PubChem CID 62318913) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
PubChem CID62318913
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine
SMILESCCNC(CCc1cc(C)cc(C)c1)COC
InChIInChI=1S/C15H25NO/c1-5-16-15(11-17-4)7-6-14-9-12(2)8-13(3)10-14/h8-10,15-16H,5-7,11H2,1-4H3
InChIKeyKDPFZFQYAQLGGS-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-1-methoxy-N-methylbutan-2-amine
CID 62320365
1-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511520
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
1-[(3,5-dimethylphenyl)methylsulfonyl]-N-ethyl-3-methoxypropan-2-amine
CID 107508857
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
1-(3-chloro-4-methoxybutyl)-3,5-dimethylbenzene
CID 62318557
N-ethyl-4-(5-fluoro-2-methylphenyl)-1-methoxybutan-2-amine
CID 105372347
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318544
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
N-ethyl-1-(2,4,6-trimethylphenoxy)pentan-2-amine
CID 62042780
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine (CID 62318913) is 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine is CCNC(CCc1cc(C)cc(C)c1)COC.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine?
The InChIKey is KDPFZFQYAQLGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-15(11-17-4)7-6-14-9-12(2)8-13(3)10-14/h8-10,15-16H,5-7,11H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine?
4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-ethyl-1-methoxybutan-2-amine is sourced from PubChem (CID 62318913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).