N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine

C15H25NO — CID 116715729

IUPACN-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)C(CC)OC
InChIInChI=1S/C15H25NO/c1-5-15(17-4)14(16-6-2)11-13-9-7-12(3)8-10-13/h7-10,14-16H,5-6,11H2,1-4H3
InChIKeyXYXHQKZOKFBKIY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds7

About N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine

N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine (PubChem CID 116715729) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
PubChem CID116715729
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)C(CC)OC
InChIInChI=1S/C15H25NO/c1-5-15(17-4)14(16-6-2)11-13-9-7-12(3)8-10-13/h7-10,14-16H,5-6,11H2,1-4H3
InChIKeyXYXHQKZOKFBKIY-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
1-(3-bromophenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715692
3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715677
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
N-ethyl-5-methoxy-2-methylheptan-4-amine
CID 116715625
N,6-diethyl-3-methoxyoctan-4-amine
CID 116715848

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine (CID 116715729) is N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine is CCNC(Cc1ccc(C)cc1)C(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine?
The InChIKey is XYXHQKZOKFBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(17-4)14(16-6-2)11-13-9-7-12(3)8-10-13/h7-10,14-16H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine?
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116715729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).