N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine

C15H25NO — CID 106899543

IUPACN-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
SMILESCCc1ccc(CNCCC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)12-16-11-10-15(2,3)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyBOQYDAOYGAHPNH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.15
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine

N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 106899543) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
PubChem CID106899543
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
SMILESCCc1ccc(CNCCC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)12-16-11-10-15(2,3)17-4/h6-9,16H,5,10-12H2,1-4H3
InChIKeyBOQYDAOYGAHPNH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(3-bromophenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033220
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
6-[(4-ethylphenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287724
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115656215
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2-[(4-ethylphenyl)methylamino]ethyl 2,2-dimethylpropanoate
CID 82533439
1-ethyl-4-(7-methoxy-3,7-dimethyloctoxy)benzene
CID 22749891
3-methoxy-3-methyl-N-(pyridazin-3-ylmethyl)butan-1-amine
CID 106895342
N-[(4-ethylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17291031

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine (CID 106899543) is N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine is CCc1ccc(CNCCC(C)(C)OC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is BOQYDAOYGAHPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-6-8-14(9-7-13)12-16-11-10-15(2,3)17-4/h6-9,16H,5,10-12H2,1-4H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine?
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106899543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).