N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine

C16H27NO — CID 105091118

IUPACN-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1cccc(C)c1)CC(C)COC
InChIInChI=1S/C16H27NO/c1-5-17-16(10-14(3)12-18-4)11-15-8-6-7-13(2)9-15/h6-9,14,16-17H,5,10-12H2,1-4H3
InChIKeyHNYMIHYERIEZFK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds8

About N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine

N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine (PubChem CID 105091118) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
PubChem CID105091118
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCNC(Cc1cccc(C)c1)CC(C)COC
InChIInChI=1S/C16H27NO/c1-5-17-16(10-14(3)12-18-4)11-15-8-6-7-13(2)9-15/h6-9,14,16-17H,5,10-12H2,1-4H3
InChIKeyHNYMIHYERIEZFK-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105152389
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 60819352
N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-methoxy-N-[(3-methylphenyl)methyl]propan-2-amine;propane
CID 142218132
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine (CID 105091118) is N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine is CCNC(Cc1cccc(C)c1)CC(C)COC.
What is the InChIKey of N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is HNYMIHYERIEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-16(10-14(3)12-18-4)11-15-8-6-7-13(2)9-15/h6-9,14,16-17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine?
N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-4-methyl-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 105091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).