(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C15H22ClNO2 — CID 114622632

IUPAC(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccc(Cl)cc2N)C(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-14(2)8-11(15(3,4)19-14)13(18)10-6-5-9(16)7-12(10)17/h5-7,11,13,18H,8,17H2,1-4H3
InChIKeyIZFFAPAUHASIDQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.55
Rot. Bonds2

About (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol

(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622632) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622632
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2ccc(Cl)cc2N)C(C)(C)O1
InChIInChI=1S/C15H22ClNO2/c1-14(2)8-11(15(3,4)19-14)13(18)10-6-5-9(16)7-12(10)17/h5-7,11,13,18H,8,17H2,1-4H3
InChIKeyIZFFAPAUHASIDQ-UHFFFAOYSA-N
XLogP3.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
(2,5-dibromothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107969945
N-[(2,4-dichlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105052961
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622632) is (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2ccc(Cl)cc2N)C(C)(C)O1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is IZFFAPAUHASIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-14(2)8-11(15(3,4)19-14)13(18)10-6-5-9(16)7-12(10)17/h5-7,11,13,18H,8,17H2,1-4H3.
What are the key properties of (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 283.80 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).