(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol

C11H16ClNO — CID 961325

IUPAC(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyMSPQTZWVTYYOJB-LLVKDONJSA-N
MW213.71 g/mol
LogP2.20
Rot. Bonds5

About (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol

(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol (PubChem CID 961325) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol
PubChem CID961325
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyMSPQTZWVTYYOJB-LLVKDONJSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol (CID 961325) is (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol?
The InChIKey is MSPQTZWVTYYOJB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol?
(2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 961325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).