N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine

C13H19Cl2N — CID 64504930

IUPACN-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-10(2)9-16-7-3-4-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyFOAZVSOEQJMKKB-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.17
Rot. Bonds6

About N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine

N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine (PubChem CID 64504930) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
PubChem CID64504930
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-10(2)9-16-7-3-4-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyFOAZVSOEQJMKKB-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.17
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

5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833
1,4-dichloro-2-(4-chloropentyl)benzene
CID 65316185
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine (CID 64504930) is N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine?
The InChIKey is FOAZVSOEQJMKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-10(2)9-16-7-3-4-11-8-12(14)5-6-13(11)15/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine?
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64504930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).