2-chloro-N,N-dihexylaniline

C18H30ClN — CID 139723528

IUPAC2-chloro-N,N-dihexylaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-3-5-7-11-15-20(16-12-8-6-4-2)18-14-10-9-13-17(18)19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyWZZSUVLERGRERT-UHFFFAOYSA-N
MW295.90 g/mol
LogP6.31
Rot. Bonds11

About 2-chloro-N,N-dihexylaniline

2-chloro-N,N-dihexylaniline (PubChem CID 139723528) has the molecular formula C18H30ClN and a molecular weight of 295.90 g/mol. Its IUPAC name is 2-chloro-N,N-dihexylaniline.

Molecular Properties

Compound Name2-chloro-N,N-dihexylaniline
PubChem CID139723528
Molecular FormulaC18H30ClN
Molecular Weight295.90 g/mol
Exact Mass295.21
IUPAC Name2-chloro-N,N-dihexylaniline
SMILESCCCCCCN(CCCCCC)c1ccccc1Cl
InChIInChI=1S/C18H30ClN/c1-3-5-7-11-15-20(16-12-8-6-4-2)18-14-10-9-13-17(18)19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChIKeyWZZSUVLERGRERT-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.90
LogP ≤ 56.31
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

2-(dioctadecylamino)phenol
CID 67178725
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
3-(N-butyl-2-chloroanilino)-2-methylpropanoic acid
CID 82318030
N,N-dihexyl-2-piperidin-1-ylaniline
CID 66869009
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
N,N-diheptyl-2-nitroaniline
CID 139722585
2-nitro-N,N-dioctylaniline
CID 138786720
N,N-dioctyl-2-phenoxyaniline
CID 139723274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dihexylaniline?
The IUPAC name of 2-chloro-N,N-dihexylaniline (CID 139723528) is 2-chloro-N,N-dihexylaniline.
What is the SMILES notation for 2-chloro-N,N-dihexylaniline?
The canonical SMILES for 2-chloro-N,N-dihexylaniline is CCCCCCN(CCCCCC)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N,N-dihexylaniline?
The InChIKey is WZZSUVLERGRERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN/c1-3-5-7-11-15-20(16-12-8-6-4-2)18-14-10-9-13-17(18)19/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2-chloro-N,N-dihexylaniline?
2-chloro-N,N-dihexylaniline has a molecular weight of 295.90 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dihexylaniline is sourced from PubChem (CID 139723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).