1-(2,5-dichlorophenyl)-N-methylnonan-2-amine

C16H25Cl2N — CID 115863293

IUPAC1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-15(19-2)12-13-11-14(17)9-10-16(13)18/h9-11,15,19H,3-8,12H2,1-2H3
InChIKeyCJHHRHXTOCBGSS-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.48
Rot. Bonds9

About 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine

1-(2,5-dichlorophenyl)-N-methylnonan-2-amine (PubChem CID 115863293) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
PubChem CID115863293
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-15(19-2)12-13-11-14(17)9-10-16(13)18/h9-11,15,19H,3-8,12H2,1-2H3
InChIKeyCJHHRHXTOCBGSS-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.48
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-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
1-(2-chloro-4-methylphenyl)-N-methyloctan-2-amine
CID 106867862
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine (CID 115863293) is 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1cc(Cl)ccc1Cl)NC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine?
The InChIKey is CJHHRHXTOCBGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-15(19-2)12-13-11-14(17)9-10-16(13)18/h9-11,15,19H,3-8,12H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine?
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine has a molecular weight of 302.29 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methylnonan-2-amine is sourced from PubChem (CID 115863293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).