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

C13H20ClNO2 — CID 94611679

IUPAC(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-4-3-5-12(14)6-11/h3-6,10,13,15-16H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyWOWQZIXEXLEGFS-CYBMUJFWSA-N
MW257.76 g/mol
LogP2.22
Rot. Bonds7

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

(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 94611679) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID94611679
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CNCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-4-3-5-12(14)6-11/h3-6,10,13,15-16H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyWOWQZIXEXLEGFS-CYBMUJFWSA-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

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Related Compounds

1-[2-(3-chlorophenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 164906466
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 107262771
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol (CID 94611679) is (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CNCc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is WOWQZIXEXLEGFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-10(2)17-9-13(16)8-15-7-11-4-3-5-12(14)6-11/h3-6,10,13,15-16H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[(3-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 (2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 94611679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).