1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol

C13H20ClNO2 — CID 60632998

IUPAC1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyYVCNUPLQEJCHEW-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.22
Rot. Bonds7

About 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol

1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 60632998) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID60632998
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3
InChIKeyYVCNUPLQEJCHEW-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-[(6-methyl-3-pyridinyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 55025852
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 164906466
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
1-[2-(4-fluorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632265
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol (CID 60632998) is 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is YVCNUPLQEJCHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,13,15-16H,7-9H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60632998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).