N,N-dihexyl-2-methoxyaniline

C19H33NO — CID 59373144

IUPACN,N-dihexyl-2-methoxyaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1OC
InChIInChI=1S/C19H33NO/c1-4-6-8-12-16-20(17-13-9-7-5-2)18-14-10-11-15-19(18)21-3/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3
InChIKeyHVSIVRRMHHKGDU-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.66
Rot. Bonds12

About N,N-dihexyl-2-methoxyaniline

N,N-dihexyl-2-methoxyaniline (PubChem CID 59373144) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N,N-dihexyl-2-methoxyaniline.

Molecular Properties

Compound NameN,N-dihexyl-2-methoxyaniline
PubChem CID59373144
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN,N-dihexyl-2-methoxyaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1OC
InChIInChI=1S/C19H33NO/c1-4-6-8-12-16-20(17-13-9-7-5-2)18-14-10-11-15-19(18)21-3/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3
InChIKeyHVSIVRRMHHKGDU-UHFFFAOYSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)-3-methoxyphenyl]-3-methoxyanilino]phenyl]-4-N-[4-(dihexylamino)-3-methoxyphenyl]-1-N,1-N-dihexyl-2-methoxybenzene-1,4-diamine
CID 58862545
2-(dioctadecylamino)phenol
CID 67178725
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
2-chloro-N,N-dihexylaniline
CID 139723528
2-methoxy-N-methyl-N-propylaniline
CID 23198488
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-2-methoxyaniline?
The IUPAC name of N,N-dihexyl-2-methoxyaniline (CID 59373144) is N,N-dihexyl-2-methoxyaniline.
What is the SMILES notation for N,N-dihexyl-2-methoxyaniline?
The canonical SMILES for N,N-dihexyl-2-methoxyaniline is CCCCCCN(CCCCCC)c1ccccc1OC.
What is the InChIKey of N,N-dihexyl-2-methoxyaniline?
The InChIKey is HVSIVRRMHHKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-6-8-12-16-20(17-13-9-7-5-2)18-14-10-11-15-19(18)21-3/h10-11,14-15H,4-9,12-13,16-17H2,1-3H3.
What are the key properties of N,N-dihexyl-2-methoxyaniline?
N,N-dihexyl-2-methoxyaniline has a molecular weight of 291.48 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-2-methoxyaniline is sourced from PubChem (CID 59373144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).