N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine

C16H27NO — CID 61066425

IUPACN-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-5-17-15(9-6-13(2)3)12-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyRYLQCUCQMAVSBK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds8

About N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine

N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine (PubChem CID 61066425) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
PubChem CID61066425
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine
SMILESCCNC(CCC(C)C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-5-17-15(9-6-13(2)3)12-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyRYLQCUCQMAVSBK-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-methyl-1-naphthalen-2-ylhexan-2-amine
CID 63527714
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CID 103164130
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(4-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61065170
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine (CID 61066425) is N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine is CCNC(CCC(C)C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine?
The InChIKey is RYLQCUCQMAVSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-15(9-6-13(2)3)12-14-7-10-16(18-4)11-8-14/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine?
N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-5-methylhexan-2-amine is sourced from PubChem (CID 61066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).