4-hexoxy-N-methylaniline

C13H21NO — CID 54803445

IUPAC4-hexoxy-N-methylaniline
SMILESCCCCCCOc1ccc(NC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-11-15-13-9-7-12(14-2)8-10-13/h7-10,14H,3-6,11H2,1-2H3
InChIKeySKIPLXRVFOGWPD-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.69
Rot. Bonds7

About 4-hexoxy-N-methylaniline

4-hexoxy-N-methylaniline (PubChem CID 54803445) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-hexoxy-N-methylaniline.

Molecular Properties

Compound Name4-hexoxy-N-methylaniline
PubChem CID54803445
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-hexoxy-N-methylaniline
SMILESCCCCCCOc1ccc(NC)cc1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-11-15-13-9-7-12(14-2)8-10-13/h7-10,14H,3-6,11H2,1-2H3
InChIKeySKIPLXRVFOGWPD-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
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-hexoxybenzonitrile;4-hexoxy-N-methylaniline
CID 174889691
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-dipentoxybenzene
CID 18314717
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-(4-tetradecoxyanilino)phenol
CID 174780996
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
1-methoxy-4-tetradecoxybenzene
CID 91712423
4-hexoxy-N,N-dimethylaniline
CID 19782341

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-methylaniline?
The IUPAC name of 4-hexoxy-N-methylaniline (CID 54803445) is 4-hexoxy-N-methylaniline.
What is the SMILES notation for 4-hexoxy-N-methylaniline?
The canonical SMILES for 4-hexoxy-N-methylaniline is CCCCCCOc1ccc(NC)cc1.
What is the InChIKey of 4-hexoxy-N-methylaniline?
The InChIKey is SKIPLXRVFOGWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-6-11-15-13-9-7-12(14-2)8-10-13/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 4-hexoxy-N-methylaniline?
4-hexoxy-N-methylaniline has a molecular weight of 207.32 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-methylaniline is sourced from PubChem (CID 54803445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).