N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine

C25H43Cl2N — CID 20562206

IUPACN-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H43Cl2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22-23-18-19-24(26)21-25(23)27/h18-19,21,28H,2-17,20,22H2,1H3
InChIKeyDDSXSWJSBMUKMP-UHFFFAOYSA-N
MW428.53 g/mol
LogP9.34
Rot. Bonds19

About N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine

N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine (PubChem CID 20562206) has the molecular formula C25H43Cl2N and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
PubChem CID20562206
Molecular FormulaC25H43Cl2N
Molecular Weight428.53 g/mol
Exact Mass427.28
IUPAC NameN-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H43Cl2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22-23-18-19-24(26)21-25(23)27/h18-19,21,28H,2-17,20,22H2,1H3
InChIKeyDDSXSWJSBMUKMP-UHFFFAOYSA-N
XLogP9.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 59.34
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

N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[(2,4-dichlorophenyl)methyl]heptan-1-amine;oxalic acid
CID 163328902
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]heptan-1-amine;hydrochloride
CID 17157722
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66532640
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 4716899
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine (CID 20562206) is N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine is CCCCCCCCCCCCCCCCCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine?
The InChIKey is DDSXSWJSBMUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43Cl2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-22-23-18-19-24(26)21-25(23)27/h18-19,21,28H,2-17,20,22H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine?
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine has a molecular weight of 428.53 g/mol, XLogP of 9.34, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine is sourced from PubChem (CID 20562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).