4-hexoxy-N,N-dimethylaniline

C14H23NO — CID 19782341

IUPAC4-hexoxy-N,N-dimethylaniline
SMILESCCCCCCOc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-7-12-16-14-10-8-13(9-11-14)15(2)3/h8-11H,4-7,12H2,1-3H3
InChIKeyUNPSFEDEKAXCNS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.71
Rot. Bonds7

About 4-hexoxy-N,N-dimethylaniline

4-hexoxy-N,N-dimethylaniline (PubChem CID 19782341) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-hexoxy-N,N-dimethylaniline.

Molecular Properties

Compound Name4-hexoxy-N,N-dimethylaniline
PubChem CID19782341
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-hexoxy-N,N-dimethylaniline
SMILESCCCCCCOc1ccc(N(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-7-12-16-14-10-8-13(9-11-14)15(2)3/h8-11H,4-7,12H2,1-3H3
InChIKeyUNPSFEDEKAXCNS-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-dipentoxybenzene
CID 18314717
4-octoxy-N-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]-N-(4-octoxyphenyl)aniline
CID 18996788
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
4-[(E)-2-[6-[(E)-2-(4-hexoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42644262
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-methoxy-4-tetradecoxybenzene
CID 91712423
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
4-hexoxy-N-(4-hexoxyphenyl)-N-phenylaniline;yttrium
CID 140583361

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N,N-dimethylaniline?
The IUPAC name of 4-hexoxy-N,N-dimethylaniline (CID 19782341) is 4-hexoxy-N,N-dimethylaniline.
What is the SMILES notation for 4-hexoxy-N,N-dimethylaniline?
The canonical SMILES for 4-hexoxy-N,N-dimethylaniline is CCCCCCOc1ccc(N(C)C)cc1.
What is the InChIKey of 4-hexoxy-N,N-dimethylaniline?
The InChIKey is UNPSFEDEKAXCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-12-16-14-10-8-13(9-11-14)15(2)3/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 4-hexoxy-N,N-dimethylaniline?
4-hexoxy-N,N-dimethylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N,N-dimethylaniline is sourced from PubChem (CID 19782341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).