N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine

C17H21ClN2 — CID 116544842

IUPACN-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(Cl)cn2)c1
InChIInChI=1S/C17H21ClN2/c1-3-6-13-7-5-8-14(11-13)17(19-4-2)16-10-9-15(18)12-20-16/h5,7-12,17,19H,3-4,6H2,1-2H3
InChIKeyAGBPZFIKFORUOL-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.39
Rot. Bonds6

About N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine

N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 116544842) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID116544842
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(Cl)cn2)c1
InChIInChI=1S/C17H21ClN2/c1-3-6-13-7-5-8-14(11-13)17(19-4-2)16-10-9-15(18)12-20-16/h5,7-12,17,19H,3-4,6H2,1-2H3
InChIKeyAGBPZFIKFORUOL-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105251579
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
[(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105251622
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526
[(3-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251601
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine (CID 116544842) is N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is AGBPZFIKFORUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-6-13-7-5-8-14(11-13)17(19-4-2)16-10-9-15(18)12-20-16/h5,7-12,17,19H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine?
N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 116544842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).