N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

C19H33NO — CID 63474903

IUPACN-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)CC(C)C)c1ccc(CC)cc1
InChIInChI=1S/C19H33NO/c1-6-12-20-19(14-21-16(5)13-15(3)4)18-10-8-17(7-2)9-11-18/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3
InChIKeyHFPAKKHWXLULQE-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.74
Rot. Bonds10

About N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine

N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (PubChem CID 63474903) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
PubChem CID63474903
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)CC(C)C)c1ccc(CC)cc1
InChIInChI=1S/C19H33NO/c1-6-12-20-19(14-21-16(5)13-15(3)4)18-10-8-17(7-2)9-11-18/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3
InChIKeyHFPAKKHWXLULQE-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
N-[2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 106200712
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64614295
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 64645191
N'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine (CID 63474903) is N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is CCCNC(COC(C)CC(C)C)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is HFPAKKHWXLULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-12-20-19(14-21-16(5)13-15(3)4)18-10-8-17(7-2)9-11-18/h8-11,15-16,19-20H,6-7,12-14H2,1-5H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-(4-methylpentan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 63474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).