N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine

C15H25NO — CID 81021747

IUPACN-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-16-11-10-15(2,3)12-13-8-6-7-9-14(13)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyMTAHBTTYMQMMTF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine

N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 81021747) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
PubChem CID81021747
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNCCC(C)(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-5-16-11-10-15(2,3)12-13-8-6-7-9-14(13)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyMTAHBTTYMQMMTF-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62723751
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 62724215
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
CID 80605039
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine (CID 81021747) is N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine is CCNCCC(C)(C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is MTAHBTTYMQMMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-11-10-15(2,3)12-13-8-6-7-9-14(13)17-4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81021747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).