N-(2-ethylbutyl)-3-propoxyaniline

C15H25NO — CID 43693684

IUPACN-(2-ethylbutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCC(CC)CC)c1
InChIInChI=1S/C15H25NO/c1-4-10-17-15-9-7-8-14(11-15)16-12-13(5-2)6-3/h7-9,11,13,16H,4-6,10,12H2,1-3H3
InChIKeyKGTAZNBKLPEFIH-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.32
Rot. Bonds8

About N-(2-ethylbutyl)-3-propoxyaniline

N-(2-ethylbutyl)-3-propoxyaniline (PubChem CID 43693684) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-propoxyaniline
PubChem CID43693684
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-ethylbutyl)-3-propoxyaniline
SMILESCCCOc1cccc(NCC(CC)CC)c1
InChIInChI=1S/C15H25NO/c1-4-10-17-15-9-7-8-14(11-15)16-12-13(5-2)6-3/h7-9,11,13,16H,4-6,10,12H2,1-3H3
InChIKeyKGTAZNBKLPEFIH-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
3-(2-ethoxyethoxy)-N-(2-phenoxybutyl)aniline
CID 54802089
N-[2-(2-chlorophenoxy)propyl]-3-propoxyaniline
CID 54800568
3-(3-butoxyanilino)propane-1,2-diol
CID 168597577
N-phenyl-3-propoxyaniline
CID 71334741
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-propoxyaniline?
The IUPAC name of N-(2-ethylbutyl)-3-propoxyaniline (CID 43693684) is N-(2-ethylbutyl)-3-propoxyaniline.
What is the SMILES notation for N-(2-ethylbutyl)-3-propoxyaniline?
The canonical SMILES for N-(2-ethylbutyl)-3-propoxyaniline is CCCOc1cccc(NCC(CC)CC)c1.
What is the InChIKey of N-(2-ethylbutyl)-3-propoxyaniline?
The InChIKey is KGTAZNBKLPEFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-10-17-15-9-7-8-14(11-15)16-12-13(5-2)6-3/h7-9,11,13,16H,4-6,10,12H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-3-propoxyaniline?
N-(2-ethylbutyl)-3-propoxyaniline has a molecular weight of 235.37 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-propoxyaniline is sourced from PubChem (CID 43693684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).