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

C17H24ClNO — CID 115892903

IUPAC[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C17H24ClNO/c18-14-5-6-15-13(10-14)4-7-16(15)19-11-17(12-20)8-2-1-3-9-17/h5-6,10,16,19-20H,1-4,7-9,11-12H2
InChIKeyAGZFLCGFIDIEKW-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.86
Rot. Bonds4

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

[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 115892903) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
PubChem CID115892903
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCc3cc(Cl)ccc32)CCCCC1
InChIInChI=1S/C17H24ClNO/c18-14-5-6-15-13(10-14)4-7-16(15)19-11-17(12-20)8-2-1-3-9-17/h5-6,10,16,19-20H,1-4,7-9,11-12H2
InChIKeyAGZFLCGFIDIEKW-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
N'-(5-chloro-2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine;hydrochloride
CID 139930761
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119300825
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
CID 103965853
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 119300818
[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
CID 115892905
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentyl]methanol
CID 115358767
[2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785054
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
5-chloro-N-cyclopentyl-2,3-dihydro-1H-inden-1-amine
CID 81301651
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978931

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol (CID 115892903) is [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol is OCC1(CNC2CCc3cc(Cl)ccc32)CCCCC1.
What is the InChIKey of [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is AGZFLCGFIDIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-14-5-6-15-13(10-14)4-7-16(15)19-11-17(12-20)8-2-1-3-9-17/h5-6,10,16,19-20H,1-4,7-9,11-12H2.
What are the key properties of [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 293.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115892903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).