1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

C16H19ClN2 — CID 105014621

IUPAC1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Cl)ccc2C)nc1
InChIInChI=1S/C16H19ClN2/c1-3-12-5-7-14(19-10-12)9-16(18)15-8-13(17)6-4-11(15)2/h4-8,10,16H,3,9,18H2,1-2H3
InChIKeyNVULSHNEGASHCS-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine

1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (PubChem CID 105014621) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
PubChem CID105014621
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
SMILESCCc1ccc(CC(N)c2cc(Cl)ccc2C)nc1
InChIInChI=1S/C16H19ClN2/c1-3-12-5-7-14(19-10-12)9-16(18)15-8-13(17)6-4-11(15)2/h4-8,10,16H,3,9,18H2,1-2H3
InChIKeyNVULSHNEGASHCS-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747791
1-(3,5-dichloro-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79780214
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
1-(4-bromo-3,5-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 114330207
1-(2,6-dimethyl-4-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 107503102
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
2-(5-ethyl-2-pyridinyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105168972
1-(3,5-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 79747813
1-(4-bromo-2,6-difluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014806
3-(3-chlorophenoxy)-1-(5-ethyl-2-pyridinyl)butan-2-amine
CID 105168932
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine (CID 105014621) is 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is CCc1ccc(CC(N)c2cc(Cl)ccc2C)nc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
The InChIKey is NVULSHNEGASHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-12-5-7-14(19-10-12)9-16(18)15-8-13(17)6-4-11(15)2/h4-8,10,16H,3,9,18H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine?
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine has a molecular weight of 274.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 105014621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).