1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol

C14H15ClN2O — CID 116696246

IUPAC1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
SMILESNc1ccncc1C(O)(CCCl)c1ccccc1
InChIInChI=1S/C14H15ClN2O/c15-8-7-14(18,11-4-2-1-3-5-11)12-10-17-9-6-13(12)16/h1-6,9-10,18H,7-8H2,(H2,16,17)
InChIKeyIQTFDTGHOPCLQQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol

1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol (PubChem CID 116696246) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
PubChem CID116696246
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol
SMILESNc1ccncc1C(O)(CCCl)c1ccccc1
InChIInChI=1S/C14H15ClN2O/c15-8-7-14(18,11-4-2-1-3-5-11)12-10-17-9-6-13(12)16/h1-6,9-10,18H,7-8H2,(H2,16,17)
InChIKeyIQTFDTGHOPCLQQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-naphthalen-1-yl-1-phenylpropan-1-ol
CID 116696421
2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707451
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
1-amino-3-chloro-1-phenylpropan-1-ol
CID 175404294
2-amino-1-isoquinolin-8-yl-1-phenylethanol
CID 103143061
1-(4-methyl-3-pyridinyl)-1-phenylbutan-1-amine
CID 66274156
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
CID 116696208
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol (CID 116696246) is 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol is Nc1ccncc1C(O)(CCCl)c1ccccc1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol?
The InChIKey is IQTFDTGHOPCLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-8-7-14(18,11-4-2-1-3-5-11)12-10-17-9-6-13(12)16/h1-6,9-10,18H,7-8H2,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol?
1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol has a molecular weight of 262.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-chloro-1-phenylpropan-1-ol is sourced from PubChem (CID 116696246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).