2-methoxy-N,N-di(pentadecyl)aniline

C37H69NO — CID 139723453

IUPAC2-methoxy-N,N-di(pentadecyl)aniline
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)c1ccccc1OC
InChIInChI=1S/C37H69NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-34-38(36-32-28-29-33-37(36)39-3)35-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-29,32-33H,4-27,30-31,34-35H2,1-3H3
InChIKeyHGKOIRXTUKFHLP-UHFFFAOYSA-N
MW543.97 g/mol
LogP12.68
Rot. Bonds30

About 2-methoxy-N,N-di(pentadecyl)aniline

2-methoxy-N,N-di(pentadecyl)aniline (PubChem CID 139723453) has the molecular formula C37H69NO and a molecular weight of 543.97 g/mol. Its IUPAC name is 2-methoxy-N,N-di(pentadecyl)aniline.

Molecular Properties

Compound Name2-methoxy-N,N-di(pentadecyl)aniline
PubChem CID139723453
Molecular FormulaC37H69NO
Molecular Weight543.97 g/mol
Exact Mass543.54
IUPAC Name2-methoxy-N,N-di(pentadecyl)aniline
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)c1ccccc1OC
InChIInChI=1S/C37H69NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-34-38(36-32-28-29-33-37(36)39-3)35-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-29,32-33H,4-27,30-31,34-35H2,1-3H3
InChIKeyHGKOIRXTUKFHLP-UHFFFAOYSA-N
XLogP12.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.97
LogP ≤ 512.68
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

N,N-dihexyl-2-methoxyaniline
CID 59373144
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 2-methoxy-N,N-di(pentadecyl)aniline?
The IUPAC name of 2-methoxy-N,N-di(pentadecyl)aniline (CID 139723453) is 2-methoxy-N,N-di(pentadecyl)aniline.
What is the SMILES notation for 2-methoxy-N,N-di(pentadecyl)aniline?
The canonical SMILES for 2-methoxy-N,N-di(pentadecyl)aniline is CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N,N-di(pentadecyl)aniline?
The InChIKey is HGKOIRXTUKFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H69NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-30-34-38(36-32-28-29-33-37(36)39-3)35-31-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-29,32-33H,4-27,30-31,34-35H2,1-3H3.
What are the key properties of 2-methoxy-N,N-di(pentadecyl)aniline?
2-methoxy-N,N-di(pentadecyl)aniline has a molecular weight of 543.97 g/mol, XLogP of 12.68, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-di(pentadecyl)aniline is sourced from PubChem (CID 139723453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).