N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine

C17H19Cl2N — CID 63428205

IUPACN-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-10-20-12(2)13-4-6-14(7-5-13)16-9-8-15(18)11-17(16)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyYNCAJTCJELZXIT-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.72
Rot. Bonds5

About N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine

N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63428205) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID63428205
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-10-20-12(2)13-4-6-14(7-5-13)16-9-8-15(18)11-17(16)19/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyYNCAJTCJELZXIT-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
1-[4-(2-chloro-4,5-dimethylphenyl)phenyl]-N-ethylethanamine
CID 115484394
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine (CID 63428205) is N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is YNCAJTCJELZXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-10-20-12(2)13-4-6-14(7-5-13)16-9-8-15(18)11-17(16)19/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,4-dichlorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).