5-chloro-2-dodecylaniline

C18H30ClN — CID 139793979

IUPAC5-chloro-2-dodecylaniline
SMILESCCCCCCCCCCCCc1ccc(Cl)cc1N
InChIInChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15H,2-12,20H2,1H3
InChIKeyDCKMRQKUFVCJCN-UHFFFAOYSA-N
MW295.90 g/mol
LogP6.39
Rot. Bonds11

About 5-chloro-2-dodecylaniline

5-chloro-2-dodecylaniline (PubChem CID 139793979) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 5-chloro-2-dodecylaniline.

Molecular Properties

Compound Name5-chloro-2-dodecylaniline
PubChem CID139793979
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name5-chloro-2-dodecylaniline
SMILESCCCCCCCCCCCCc1ccc(Cl)cc1N
InChIInChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15H,2-12,20H2,1H3
InChIKeyDCKMRQKUFVCJCN-UHFFFAOYSA-N
XLogP6.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-dodecylphenol
CID 102279992
5-ethyl-2-hexylaniline
CID 22065589
6-(2-amino-4-chlorophenyl)hexyl acetate
CID 173011467
2-[5-[6-(2-amino-4-chlorophenyl)-2-methylhexan-2-yl]oxy-5-methylhexyl]-5-chloroaniline
CID 142777289
3-chloro-4-hexylaniline
CID 139793989
2-tetradecylaniline
CID 22218918
5-chloro-2-decoxyaniline
CID 55187694
4-fluoro-3-octylaniline
CID 70083692
5-chloro-2-nonylsulfanylaniline
CID 43129563
3-(5-amino-2-hexylphenyl)-4-hexylaniline
CID 69236433
4-dodecyl-6-methylbenzene-1,3-diamine
CID 70404899
2-[2-(2-bromo-4-chlorophenyl)ethyl]-5-chloroaniline
CID 10783688

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-dodecylaniline?
The IUPAC name of 5-chloro-2-dodecylaniline (CID 139793979) is 5-chloro-2-dodecylaniline.
What is the SMILES notation for 5-chloro-2-dodecylaniline?
The canonical SMILES for 5-chloro-2-dodecylaniline is CCCCCCCCCCCCc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-dodecylaniline?
The InChIKey is DCKMRQKUFVCJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15H,2-12,20H2,1H3.
What are the key properties of 5-chloro-2-dodecylaniline?
5-chloro-2-dodecylaniline has a molecular weight of 295.90 g/mol, XLogP of 6.39, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-dodecylaniline is sourced from PubChem (CID 139793979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).