N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine

C16H19ClN2 — CID 63199678

IUPACN-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-2-10-18-16(13-6-4-3-5-7-13)11-15-9-8-14(17)12-19-15/h3-9,12,16,18H,2,10-11H2,1H3
InChIKeyZVMKOQYKRBZJGO-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.02
Rot. Bonds6

About N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine

N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine (PubChem CID 63199678) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
PubChem CID63199678
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H19ClN2/c1-2-10-18-16(13-6-4-3-5-7-13)11-15-9-8-14(17)12-19-15/h3-9,12,16,18H,2,10-11H2,1H3
InChIKeyZVMKOQYKRBZJGO-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448862
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
(2S,3S)-1-(5-chloro-2-pyridinyl)-2-phenylpentan-3-amine
CID 70830206
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
N-[1-(2-chlorofuran-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 106692662
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine (CID 63199678) is N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The InChIKey is ZVMKOQYKRBZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-10-18-16(13-6-4-3-5-7-13)11-15-9-8-14(17)12-19-15/h3-9,12,16,18H,2,10-11H2,1H3.
What are the key properties of N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 63199678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).