3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

C13H19Cl2N — CID 64666245

IUPAC3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-6-16-9-10(2)7-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeySQTYELSFMHJMKR-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.17
Rot. Bonds6

About 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine

3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 64666245) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
PubChem CID64666245
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-6-16-9-10(2)7-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeySQTYELSFMHJMKR-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

3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
CID 66436500
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
5-(2,5-dichlorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 65316021
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
4-chloro-N-[(2,5-dichlorophenyl)methyl]-2-methylbutan-1-amine
CID 66092712

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine (CID 64666245) is 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is SQTYELSFMHJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-6-16-9-10(2)7-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine?
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-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 3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 64666245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).