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

C12H17Cl2N — CID 66436500

IUPAC2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-6-15-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyAYNYVSIYKGPBFI-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.10
Rot. Bonds5

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

2-(2,5-dichlorophenyl)-N-propylpropan-1-amine (PubChem CID 66436500) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
PubChem CID66436500
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2-(2,5-dichlorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-6-15-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyAYNYVSIYKGPBFI-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.10
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)-2-methyl-N-propylpropan-1-amine
CID 64666245
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
2-(2,4-dichlorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107886981
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine (CID 66436500) is 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine is CCCNCC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine?
The InChIKey is AYNYVSIYKGPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-6-15-8-9(2)11-7-10(13)4-5-12(11)14/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine?
2-(2,5-dichlorophenyl)-N-propylpropan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 66436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).