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

C17H29NO — CID 106792257

IUPACN-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(C)cc1OC
InChIInChI=1S/C17H29NO/c1-6-8-13(3)11-16(18-7-2)15-10-9-14(4)12-17(15)19-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3
InChIKeySVPWTAPIGNKLKV-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds8

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

N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine (PubChem CID 106792257) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
PubChem CID106792257
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1ccc(C)cc1OC
InChIInChI=1S/C17H29NO/c1-6-8-13(3)11-16(18-7-2)15-10-9-14(4)12-17(15)19-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3
InChIKeySVPWTAPIGNKLKV-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxy-4-methylphenyl)-3-methylhexyl]hydrazine
CID 106793869
1-(2-bromo-4-methylphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845391
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
CID 106792394
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine (CID 106792257) is N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1ccc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The InChIKey is SVPWTAPIGNKLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-13(3)11-16(18-7-2)15-10-9-14(4)12-17(15)19-5/h9-10,12-13,16,18H,6-8,11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 106792257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).