3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

C18H20ClNO — CID 65185993

IUPAC3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClNO/c19-16-6-2-5-14(10-16)17(11-20)18(21)15-8-7-12-3-1-4-13(12)9-15/h2,5-10,17-18,21H,1,3-4,11,20H2
InChIKeyLLHSBVUMISVLFU-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.60
Rot. Bonds4

About 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 65185993) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID65185993
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESNCC(c1cccc(Cl)c1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20ClNO/c19-16-6-2-5-14(10-16)17(11-20)18(21)15-8-7-12-3-1-4-13(12)9-15/h2,5-10,17-18,21H,1,3-4,11,20H2
InChIKeyLLHSBVUMISVLFU-UHFFFAOYSA-N
XLogP3.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(4-bromo-3-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186090
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
3-amino-2-(3-chlorophenyl)-1-(3-methoxy-4-methylphenyl)propan-1-ol
CID 65186281
3-amino-2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)propan-1-ol
CID 65186364
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65186089
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 65185993) is 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is NCC(c1cccc(Cl)c1)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is LLHSBVUMISVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-16-6-2-5-14(10-16)17(11-20)18(21)15-8-7-12-3-1-4-13(12)9-15/h2,5-10,17-18,21H,1,3-4,11,20H2.
What are the key properties of 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 301.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 65185993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).