3,5-dichloro-N-nonan-2-ylaniline

C15H23Cl2N — CID 55199203

IUPAC3,5-dichloro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-12(2)18-15-10-13(16)9-14(17)11-15/h9-12,18H,3-8H2,1-2H3
InChIKeyNNOHWJTZJVIHLV-UHFFFAOYSA-N
MW288.26 g/mol
LogP6.15
Rot. Bonds8

About 3,5-dichloro-N-nonan-2-ylaniline

3,5-dichloro-N-nonan-2-ylaniline (PubChem CID 55199203) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 3,5-dichloro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name3,5-dichloro-N-nonan-2-ylaniline
PubChem CID55199203
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name3,5-dichloro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-12(2)18-15-10-13(16)9-14(17)11-15/h9-12,18H,3-8H2,1-2H3
InChIKeyNNOHWJTZJVIHLV-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
3-chloro-N-hexan-2-yl-5-(trifluoromethyl)aniline
CID 116698988
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
CID 172781783
3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
3-bromo-5-methoxy-N-octan-2-ylaniline
CID 82857926
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-nonan-2-ylaniline?
The IUPAC name of 3,5-dichloro-N-nonan-2-ylaniline (CID 55199203) is 3,5-dichloro-N-nonan-2-ylaniline.
What is the SMILES notation for 3,5-dichloro-N-nonan-2-ylaniline?
The canonical SMILES for 3,5-dichloro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-nonan-2-ylaniline?
The InChIKey is NNOHWJTZJVIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-12(2)18-15-10-13(16)9-14(17)11-15/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 3,5-dichloro-N-nonan-2-ylaniline?
3,5-dichloro-N-nonan-2-ylaniline has a molecular weight of 288.26 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-nonan-2-ylaniline is sourced from PubChem (CID 55199203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).