3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine

C17H29NO — CID 55259412

IUPAC3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccccc1OC(C)C
InChIInChI=1S/C17H29NO/c1-6-15(7-2)14(5)18-12-16-10-8-9-11-17(16)19-13(3)4/h8-11,13-15,18H,6-7,12H2,1-5H3
InChIKeyYUEJJMYPOKXNCJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.39
Rot. Bonds8

About 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine

3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine (PubChem CID 55259412) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
PubChem CID55259412
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
SMILESCCC(CC)C(C)NCc1ccccc1OC(C)C
InChIInChI=1S/C17H29NO/c1-6-15(7-2)14(5)18-12-16-10-8-9-11-17(16)19-13(3)4/h8-11,13-15,18H,6-7,12H2,1-5H3
InChIKeyYUEJJMYPOKXNCJ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
CID 78977002
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
CID 115633108
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine (CID 55259412) is 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine is CCC(CC)C(C)NCc1ccccc1OC(C)C.
What is the InChIKey of 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine?
The InChIKey is YUEJJMYPOKXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-15(7-2)14(5)18-12-16-10-8-9-11-17(16)19-13(3)4/h8-11,13-15,18H,6-7,12H2,1-5H3.
What are the key properties of 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine?
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 55259412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).