1-(3,4-dichlorophenyl)-N-methylnonan-2-amine

C16H25Cl2N — CID 55186629

IUPAC1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-14(19-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyZQNPGUOZYMFIMS-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.48
Rot. Bonds9

About 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine

1-(3,4-dichlorophenyl)-N-methylnonan-2-amine (PubChem CID 55186629) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
PubChem CID55186629
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-14(19-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3
InChIKeyZQNPGUOZYMFIMS-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-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
1-(3,4-dichlorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 115516577
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(3,4-dichlorophenyl)-N,4-dimethylhexan-2-amine
CID 63415710
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine (CID 55186629) is 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1ccc(Cl)c(Cl)c1)NC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine?
The InChIKey is ZQNPGUOZYMFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-3-4-5-6-7-8-14(19-2)11-13-9-10-15(17)16(18)12-13/h9-10,12,14,19H,3-8,11H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methylnonan-2-amine?
1-(3,4-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-(3,4-dichlorophenyl)-N-methylnonan-2-amine is sourced from PubChem (CID 55186629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).