1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine

C18H21Cl2N — CID 63424386

IUPAC1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3
InChIKeyJEJZCLVNTPITIC-UHFFFAOYSA-N
MW322.28 g/mol
LogP6.11
Rot. Bonds6

About 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine

1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine (PubChem CID 63424386) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
PubChem CID63424386
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cccc(-c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3
InChIKeyJEJZCLVNTPITIC-UHFFFAOYSA-N
XLogP6.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
1-[3-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylpropan-1-amine
CID 107476919
1-[3-(4-ethylphenyl)phenyl]-N-propylpropan-1-amine
CID 63424575
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
CID 63424026
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine (CID 63424386) is 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1cccc(-c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is JEJZCLVNTPITIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-10-21-18(4-2)14-7-5-6-13(11-14)16-12-15(19)8-9-17(16)20/h5-9,11-12,18,21H,3-4,10H2,1-2H3.
What are the key properties of 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine?
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 63424386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).