(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol

C11H15Cl2NO — CID 40726436

IUPAC(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m0/s1
InChIKeyCBCPYXYABORULN-VIFPVBQESA-N
MW248.15 g/mol
LogP2.85
Rot. Bonds5

About (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol

(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol (PubChem CID 40726436) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
PubChem CID40726436
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m0/s1
InChIKeyCBCPYXYABORULN-VIFPVBQESA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 4716036
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol (CID 40726436) is (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol?
The InChIKey is CBCPYXYABORULN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-9(7-15)14-6-8-4-3-5-10(12)11(8)13/h3-5,9,14-15H,2,6-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol?
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 40726436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).