N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine

C19H33NO — CID 105032924

IUPACN-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C19H33NO/c1-7-10-16(11-8-2)19(20-9-3)17-12-15(5)18(21-6)13-14(17)4/h12-13,16,19-20H,7-11H2,1-6H3
InChIKeyUWVNFYKEPSELNY-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.18
Rot. Bonds9

About N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine

N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine (PubChem CID 105032924) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
PubChem CID105032924
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(NCC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C19H33NO/c1-7-10-16(11-8-2)19(20-9-3)17-12-15(5)18(21-6)13-14(17)4/h12-13,16,19-20H,7-11H2,1-6H3
InChIKeyUWVNFYKEPSELNY-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-1-(4-methoxy-2,5-dimethylphenyl)hexyl]hydrazine
CID 105332979
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(4-methoxy-3-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984206
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116720357
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
[2,2-diethoxy-1-(4-methoxy-2,5-dimethylphenyl)ethyl]hydrazine
CID 105246520
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105032743
2-(2,5-dimethoxy-4-methylphenyl)-2-(ethylamino)ethanol
CID 112512368
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine (CID 105032924) is N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(NCC)c1cc(C)c(OC)cc1C.
What is the InChIKey of N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine?
The InChIKey is UWVNFYKEPSELNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-10-16(11-8-2)19(20-9-3)17-12-15(5)18(21-6)13-14(17)4/h12-13,16,19-20H,7-11H2,1-6H3.
What are the key properties of N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine?
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 105032924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).