N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride

C34H56ClN — CID 174279971

IUPACN-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C34H55N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-35(33-26-22-24-29(2)31(33)4)34-27-23-25-30(3)32(34)5;/h22-27H,6-21,28H2,1-5H3;1H
InChIKeyVCMSUMPVENXUMX-UHFFFAOYSA-N
MW514.28 g/mol
LogP11.74
Rot. Bonds19

About N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride

N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride (PubChem CID 174279971) has the molecular formula C34H56ClN and a molecular weight of 514.28 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride
PubChem CID174279971
Molecular FormulaC34H56ClN
Molecular Weight514.28 g/mol
Exact Mass513.41
IUPAC NameN-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C34H55N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-35(33-26-22-24-29(2)31(33)4)34-27-23-25-30(3)32(34)5;/h22-27H,6-21,28H2,1-5H3;1H
InChIKeyVCMSUMPVENXUMX-UHFFFAOYSA-N
XLogP11.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.28
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
CID 174691436
hexane;1,2,3-trimethylbenzene
CID 159405289
1-N,2-N-bis(2-methylphenyl)-2-N-octylbenzene-1,2-diamine
CID 134866352
4-N-(5-chloro-2-methylphenyl)-2,5-dimethyl-1-N-(2-methylphenyl)-1-N,4-N-dioctylbenzene-1,4-diamine
CID 134866313
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
tetrakis(2-methyl-N-octylanilino)phosphanium
CID 21238722
1-hexyl-2-methyl-1-(2-methylphenyl)hydrazine
CID 174444235
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
butane;N-octyl-N-phenylaniline
CID 175431375
N'-(2,3-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28772955
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride (CID 174279971) is N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride is CCCCCCCCCCCCCCCCCCN(c1cccc(C)c1C)c1cccc(C)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride?
The InChIKey is VCMSUMPVENXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-35(33-26-22-24-29(2)31(33)4)34-27-23-25-30(3)32(34)5;/h22-27H,6-21,28H2,1-5H3;1H.
What are the key properties of N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride?
N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride has a molecular weight of 514.28 g/mol, XLogP of 11.74, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,3-dimethyl-N-octadecylaniline;hydrochloride is sourced from PubChem (CID 174279971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).