3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol

C16H24ClNO — CID 103787440

IUPAC3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H24ClNO/c1-2-3-12(6-7-19)11-18-16-9-13-4-5-15(17)8-14(13)10-16/h4-5,8,12,16,18-19H,2-3,6-7,9-11H2,1H3
InChIKeyCGAPZEKPBZPFNU-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.20
Rot. Bonds7

About 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol

3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol (PubChem CID 103787440) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
PubChem CID103787440
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C16H24ClNO/c1-2-3-12(6-7-19)11-18-16-9-13-4-5-15(17)8-14(13)10-16/h4-5,8,12,16,18-19H,2-3,6-7,9-11H2,1H3
InChIKeyCGAPZEKPBZPFNU-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol (CID 103787440) is 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is CGAPZEKPBZPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-3-12(6-7-19)11-18-16-9-13-4-5-15(17)8-14(13)10-16/h4-5,8,12,16,18-19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol?
3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103787440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).