N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline

C16H25NO — CID 135141091

IUPACN-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(NCC)cc1OCCCCC
InChIInChI=1S/C16H25NO/c1-5-7-8-11-18-16-12-14(17-6-2)9-10-15(16)13(3)4/h9-10,12,17H,3,5-8,11H2,1-2,4H3
InChIKeyRATCAGZQXOTAHT-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.72
Rot. Bonds8

About N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline

N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline (PubChem CID 135141091) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
PubChem CID135141091
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(NCC)cc1OCCCCC
InChIInChI=1S/C16H25NO/c1-5-7-8-11-18-16-12-14(17-6-2)9-10-15(16)13(3)4/h9-10,12,17H,3,5-8,11H2,1-2,4H3
InChIKeyRATCAGZQXOTAHT-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-ethyl-3-propoxyaniline
CID 143061736
1-(4-acetyl-2,5-dihexadecoxyphenyl)ethanone
CID 101035610
3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
CID 143147515
N-butyl-3,4-dipropoxyaniline
CID 83961551
2-pentoxyterephthalic acid
CID 86182031
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
N-ethyl-4-fluoro-3-[2-(3-propoxypropoxy)ethoxy]aniline
CID 142327705
4,6-di(undecoxy)benzene-1,3-dicarboxylic acid
CID 101148089
4-amino-2-nonoxybenzoic acid
CID 106954713
2-octadecoxyterephthalic acid
CID 142668937
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline?
The IUPAC name of N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline (CID 135141091) is N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline.
What is the SMILES notation for N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline?
The canonical SMILES for N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline is C=C(C)c1ccc(NCC)cc1OCCCCC.
What is the InChIKey of N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline?
The InChIKey is RATCAGZQXOTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-8-11-18-16-12-14(17-6-2)9-10-15(16)13(3)4/h9-10,12,17H,3,5-8,11H2,1-2,4H3.
What are the key properties of N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline?
N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pentoxy-4-prop-1-en-2-ylaniline is sourced from PubChem (CID 135141091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).