4-ethoxy-N-hexan-3-ylaniline

C14H23NO — CID 21311782

IUPAC4-ethoxy-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-7-12(5-2)15-13-8-10-14(11-9-13)16-6-3/h8-12,15H,4-7H2,1-3H3
InChIKeyLWQOTKALVXRVRO-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.08
Rot. Bonds7

About 4-ethoxy-N-hexan-3-ylaniline

4-ethoxy-N-hexan-3-ylaniline (PubChem CID 21311782) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-ethoxy-N-hexan-3-ylaniline.

Molecular Properties

Compound Name4-ethoxy-N-hexan-3-ylaniline
PubChem CID21311782
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-ethoxy-N-hexan-3-ylaniline
SMILESCCCC(CC)Nc1ccc(OCC)cc1
InChIInChI=1S/C14H23NO/c1-4-7-12(5-2)15-13-8-10-14(11-9-13)16-6-3/h8-12,15H,4-7H2,1-3H3
InChIKeyLWQOTKALVXRVRO-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(heptan-4-ylamino)phenoxy]acetonitrile
CID 28653352
4-ethoxy-3-fluoro-N-hexan-3-ylaniline
CID 114079602
N-heptan-3-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 63944718
N,N'-bis(4-ethoxyphenyl)-1-methylsulfanylmethanediamine
CID 2377001
3-N-(4-ethoxyphenyl)butane-1,3-diamine
CID 117027044
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N,4-N-diethyl-1-N-hexan-3-ylbenzene-1,4-diamine
CID 114079510
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
CID 67636325
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
4-fluoro-N-octan-3-ylaniline
CID 150524995

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-hexan-3-ylaniline?
The IUPAC name of 4-ethoxy-N-hexan-3-ylaniline (CID 21311782) is 4-ethoxy-N-hexan-3-ylaniline.
What is the SMILES notation for 4-ethoxy-N-hexan-3-ylaniline?
The canonical SMILES for 4-ethoxy-N-hexan-3-ylaniline is CCCC(CC)Nc1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-hexan-3-ylaniline?
The InChIKey is LWQOTKALVXRVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-12(5-2)15-13-8-10-14(11-9-13)16-6-3/h8-12,15H,4-7H2,1-3H3.
What are the key properties of 4-ethoxy-N-hexan-3-ylaniline?
4-ethoxy-N-hexan-3-ylaniline has a molecular weight of 221.34 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-hexan-3-ylaniline is sourced from PubChem (CID 21311782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).