(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

C18H24ClNO — CID 45265302

IUPAC(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-12-9-13(2)17(14(3)10-12)18(20)16(11-19)15-7-5-4-6-8-15;/h4-10,16,18,20H,11,19H2,1-3H3;1H/t16-,18+;/m0./s1
InChIKeyBPTVMTODGGFNIG-KUGOCAJQSA-N
MW305.85 g/mol
LogP3.81
Rot. Bonds4

About (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride

(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (PubChem CID 45265302) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
PubChem CID45265302
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
SMILESCc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-12-9-13(2)17(14(3)10-12)18(20)16(11-19)15-7-5-4-6-8-15;/h4-10,16,18,20H,11,19H2,1-3H3;1H/t16-,18+;/m0./s1
InChIKeyBPTVMTODGGFNIG-KUGOCAJQSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride (CID 45265302) is (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
The InChIKey is BPTVMTODGGFNIG-KUGOCAJQSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-12-9-13(2)17(14(3)10-12)18(20)16(11-19)15-7-5-4-6-8-15;/h4-10,16,18,20H,11,19H2,1-3H3;1H/t16-,18+;/m0./s1.
What are the key properties of (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride?
(1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-amino-2-phenyl-1-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 45265302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).