2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

C22H28ClNO — CID 3048807

IUPAC2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESCC(NCCCCc1ccc(Cl)cc1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H28ClNO/c1-16(22(25)20-11-10-18-6-4-7-19(18)15-20)24-14-3-2-5-17-8-12-21(23)13-9-17/h8-13,15-16,22,24-25H,2-7,14H2,1H3
InChIKeyWVMWQCXQEYEHCF-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.86
Rot. Bonds8

About 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol

2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (PubChem CID 3048807) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
PubChem CID3048807
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
SMILESCC(NCCCCc1ccc(Cl)cc1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H28ClNO/c1-16(22(25)20-11-10-18-6-4-7-19(18)15-20)24-14-3-2-5-17-8-12-21(23)13-9-17/h8-13,15-16,22,24-25H,2-7,14H2,1H3
InChIKeyWVMWQCXQEYEHCF-UHFFFAOYSA-N
XLogP4.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The IUPAC name of 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol (CID 3048807) is 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol.
What is the SMILES notation for 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The canonical SMILES for 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is CC(NCCCCc1ccc(Cl)cc1)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
The InChIKey is WVMWQCXQEYEHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-16(22(25)20-11-10-18-6-4-7-19(18)15-20)24-14-3-2-5-17-8-12-21(23)13-9-17/h8-13,15-16,22,24-25H,2-7,14H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol?
2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol has a molecular weight of 357.93 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)butylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol is sourced from PubChem (CID 3048807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).