1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol

C11H16ClNO3 — CID 168638340

IUPAC1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
SMILESOCCOc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C11H16ClNO3/c12-7-10(15)8-13-9-1-3-11(4-2-9)16-6-5-14/h1-4,10,13-15H,5-8H2
InChIKeyNROLOSNYJPMXBU-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.07
Rot. Bonds7

About 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol

1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol (PubChem CID 168638340) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
PubChem CID168638340
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
SMILESOCCOc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C11H16ClNO3/c12-7-10(15)8-13-9-1-3-11(4-2-9)16-6-5-14/h1-4,10,13-15H,5-8H2
InChIKeyNROLOSNYJPMXBU-UHFFFAOYSA-N
XLogP1.07
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697
3-(4-nonoxyanilino)propane-1,2-diol
CID 168593717
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-anilino-3-chloropropan-2-ol
CID 3640254
(2R)-1,1,1-trifluoro-4-[4-[[(2R)-2-hydroxy-3-methoxypropyl]amino]phenoxy]butan-2-ol
CID 15410313
1-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]propane-1,2,3-triol
CID 168637818
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-chloro-3-(4-naphthalen-1-ylanilino)propan-2-ol
CID 168636588
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol (CID 168638340) is 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol is OCCOc1ccc(NCC(O)CCl)cc1.
What is the InChIKey of 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol?
The InChIKey is NROLOSNYJPMXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c12-7-10(15)8-13-9-1-3-11(4-2-9)16-6-5-14/h1-4,10,13-15H,5-8H2.
What are the key properties of 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol?
1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol is sourced from PubChem (CID 168638340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).