13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine

C21H35Cl2N — CID 53446484

IUPAC13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H35Cl2N/c1-24(2)17-13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(22)21(23)18-19/h15-16,18H,3-14,17H2,1-2H3
InChIKeyXGYAAFGQCSPLMD-UHFFFAOYSA-N
MW372.42 g/mol
LogP7.39
Rot. Bonds14

About 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine

13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine (PubChem CID 53446484) has the molecular formula C21H35Cl2N and a molecular weight of 372.42 g/mol. Its IUPAC name is 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine.

Molecular Properties

Compound Name13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
PubChem CID53446484
Molecular FormulaC21H35Cl2N
Molecular Weight372.42 g/mol
Exact Mass371.21
IUPAC Name13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
SMILESCN(C)CCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H35Cl2N/c1-24(2)17-13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(22)21(23)18-19/h15-16,18H,3-14,17H2,1-2H3
InChIKeyXGYAAFGQCSPLMD-UHFFFAOYSA-N
XLogP7.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 57.39
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

3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865230
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17294130
2,5-bis[4-(dimethylamino)butyl]aniline
CID 19907339
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
methyl 2-chloro-4-[3-(dimethylamino)propyl]benzoate
CID 70061712

Frequently Asked Questions

What is the IUPAC name of 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine?
The IUPAC name of 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine (CID 53446484) is 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine.
What is the SMILES notation for 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine?
The canonical SMILES for 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine is CN(C)CCCCCCCCCCCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine?
The InChIKey is XGYAAFGQCSPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35Cl2N/c1-24(2)17-13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(22)21(23)18-19/h15-16,18H,3-14,17H2,1-2H3.
What are the key properties of 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine?
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine has a molecular weight of 372.42 g/mol, XLogP of 7.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine is sourced from PubChem (CID 53446484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).