N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine

C16H18Cl2N2 — CID 62791433

IUPACN-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-11-13(17)3-4-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyMVYANASICDDTFU-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.67
Rot. Bonds6

About N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 62791433) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID62791433
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-11-13(17)3-4-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3
InChIKeyMVYANASICDDTFU-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946178
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[1-(5-chloro-2-methylphenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115863998
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
[1-(5-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317616
1-(4-chloro-3-fluorophenyl)-N-propyl-3-pyridin-4-ylpropan-2-amine
CID 107884650

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine (CID 62791433) is N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is MVYANASICDDTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-2-7-20-16(10-12-5-8-19-9-6-12)14-11-13(17)3-4-15(14)18/h3-6,8-9,11,16,20H,2,7,10H2,1H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 309.24 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 62791433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).