N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine

C15H17ClFN3 — CID 103053234

IUPACN-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cncnc1
InChIInChI=1S/C15H17ClFN3/c1-2-5-20-15(12-8-18-10-19-9-12)7-11-6-13(16)3-4-14(11)17/h3-4,6,8-10,15,20H,2,5,7H2,1H3
InChIKeyNJJVICDNTIZKGF-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine

N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine (PubChem CID 103053234) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
PubChem CID103053234
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cncnc1
InChIInChI=1S/C15H17ClFN3/c1-2-5-20-15(12-8-18-10-19-9-12)7-11-6-13(16)3-4-14(11)17/h3-4,6,8-10,15,20H,2,5,7H2,1H3
InChIKeyNJJVICDNTIZKGF-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(5-chloro-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048671
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
N-[(3-chloro-4-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63087158

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine (CID 103053234) is N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1cncnc1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine?
The InChIKey is NJJVICDNTIZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-2-5-20-15(12-8-18-10-19-9-12)7-11-6-13(16)3-4-14(11)17/h3-4,6,8-10,15,20H,2,5,7H2,1H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine?
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine is sourced from PubChem (CID 103053234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).