N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine

C16H18BrClN2 — CID 107946178

IUPACN-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H18BrClN2/c1-2-5-20-16(8-12-3-6-19-7-4-12)13-9-14(17)11-15(18)10-13/h3-4,6-7,9-11,16,20H,2,5,8H2,1H3
InChIKeyVVRSGWNKYQEIOJ-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.78
Rot. Bonds6

About N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 107946178) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID107946178
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC NameN-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H18BrClN2/c1-2-5-20-16(8-12-3-6-19-7-4-12)13-9-14(17)11-15(18)10-13/h3-4,6-7,9-11,16,20H,2,5,8H2,1H3
InChIKeyVVRSGWNKYQEIOJ-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 107946692
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[1-(3-bromo-5-chlorophenyl)-2-ethoxyethyl]propan-1-amine
CID 114019324
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 107955243
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine (CID 107946178) is N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is VVRSGWNKYQEIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-2-5-20-16(8-12-3-6-19-7-4-12)13-9-14(17)11-15(18)10-13/h3-4,6-7,9-11,16,20H,2,5,8H2,1H3.
What are the key properties of N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 353.69 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 107946178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).