2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol

C14H15ClN2O — CID 63261066

IUPAC2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ncccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-13-7-4-8-16-14(13)17-12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H,16,17)
InChIKeyBXQSHWSICTWRBC-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.75
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol

2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol (PubChem CID 63261066) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
PubChem CID63261066
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ncccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-13-7-4-8-16-14(13)17-12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H,16,17)
InChIKeyBXQSHWSICTWRBC-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
CID 124616320
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
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3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[(2,6-dichlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 63260434
(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
CID 103094354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol (CID 63261066) is 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The InChIKey is BXQSHWSICTWRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-7-4-8-16-14(13)17-12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H,16,17).
What are the key properties of 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol has a molecular weight of 262.74 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).