2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol

C18H22ClNO2 — CID 834043

IUPAC2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3
InChIKeySPEODCKLJMQURM-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.78
Rot. Bonds7

About 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol

2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 834043) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
PubChem CID834043
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3
InChIKeySPEODCKLJMQURM-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol (CID 834043) is 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is SPEODCKLJMQURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3.
What are the key properties of 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 319.83 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 834043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).