(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol

C11H16ClNO — CID 130898767

IUPAC(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
SMILESCC[C@@H](N)[C@H](O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H16ClNO/c1-3-10(13)11(14)9-6-8(12)5-4-7(9)2/h4-6,10-11,14H,3,13H2,1-2H3/t10-,11-/m1/s1
InChIKeyRCDDMHZSZKVQTR-GHMZBOCLSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds3

About (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol

(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol (PubChem CID 130898767) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
PubChem CID130898767
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol
SMILESCC[C@@H](N)[C@H](O)c1cc(Cl)ccc1C
InChIInChI=1S/C11H16ClNO/c1-3-10(13)11(14)9-6-8(12)5-4-7(9)2/h4-6,10-11,14H,3,13H2,1-2H3/t10-,11-/m1/s1
InChIKeyRCDDMHZSZKVQTR-GHMZBOCLSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2-amino-5-chlorophenyl)butan-1-ol
CID 130893189
1-(5-chloro-2-methylphenyl)-2-ethylbutan-1-ol
CID 115821957
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
2-amino-1-(2-chloro-3-fluorophenyl)butan-1-ol
CID 130804035
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol?
The IUPAC name of (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol (CID 130898767) is (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol is CC[C@@H](N)[C@H](O)c1cc(Cl)ccc1C.
What is the InChIKey of (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol?
The InChIKey is RCDDMHZSZKVQTR-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-10(13)11(14)9-6-8(12)5-4-7(9)2/h4-6,10-11,14H,3,13H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol?
(1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(5-chloro-2-methylphenyl)butan-1-ol is sourced from PubChem (CID 130898767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).