N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine

C16H27NO — CID 43788964

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCOc1ccc(C(C)NC(CC)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(12(3)4)17-13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3
InChIKeyCBGDLKAFCIPKAH-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine

N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 43788964) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
PubChem CID43788964
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCOc1ccc(C(C)NC(CC)C(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-16(12(3)4)17-13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3
InChIKeyCBGDLKAFCIPKAH-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-[4-[1-[(1-ethoxy-3-methylbutan-2-yl)amino]ethyl]phenoxy]acetonitrile
CID 103271698
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115722060
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725556

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine (CID 43788964) is N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine is CCOc1ccc(C(C)NC(CC)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is CBGDLKAFCIPKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(12(3)4)17-13(5)14-8-10-15(11-9-14)18-7-2/h8-13,16-17H,6-7H2,1-5H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43788964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).