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

C13H19Cl2N — CID 117059460

IUPACN-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyJJCATLFTPIXDBM-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.62
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine (PubChem CID 117059460) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
PubChem CID117059460
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyJJCATLFTPIXDBM-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
3-[[(2,4-dichlorophenyl)methyl-propylamino]methyl]aniline
CID 43459758
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
N'-[(2,4-dichlorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55002707
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-N-[(2,4-dichlorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 63533670

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine (CID 117059460) is N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is JJCATLFTPIXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 117059460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).