4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol

C14H15ClN2O — CID 83975838

IUPAC4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
SMILESNCC(Cc1ccc(O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H15ClN2O/c15-12-8-10(4-5-14(12)18)7-11(9-16)13-3-1-2-6-17-13/h1-6,8,11,18H,7,9,16H2
InChIKeyFOZNECCHHKIXJI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.73
Rot. Bonds4

About 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol

4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol (PubChem CID 83975838) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol.

Molecular Properties

Compound Name4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
PubChem CID83975838
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
SMILESNCC(Cc1ccc(O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H15ClN2O/c15-12-8-10(4-5-14(12)18)7-11(9-16)13-3-1-2-6-17-13/h1-6,8,11,18H,7,9,16H2
InChIKeyFOZNECCHHKIXJI-UHFFFAOYSA-N
XLogP2.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975851
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975865
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
CID 83975870
2-(3,4-dichlorophenyl)-N-methyl-1-pyridin-2-ylethanamine
CID 62601667
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol?
The IUPAC name of 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol (CID 83975838) is 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol.
What is the SMILES notation for 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol?
The canonical SMILES for 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol is NCC(Cc1ccc(O)c(Cl)c1)c1ccccn1.
What is the InChIKey of 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol?
The InChIKey is FOZNECCHHKIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-8-10(4-5-14(12)18)7-11(9-16)13-3-1-2-6-17-13/h1-6,8,11,18H,7,9,16H2.
What are the key properties of 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol?
4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol has a molecular weight of 262.74 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol is sourced from PubChem (CID 83975838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).