3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol

C18H26ClNO — CID 106123223

IUPAC3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCC(O)C1
InChIInChI=1S/C18H26ClNO/c1-18(2)10-13-6-7-14(19)9-16(13)17(18)20-11-12-4-3-5-15(21)8-12/h6-7,9,12,15,17,20-21H,3-5,8,10-11H2,1-2H3
InChIKeySTDHVQXMWIWMQI-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.10
Rot. Bonds3

About 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol

3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106123223) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106123223
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCC(O)C1
InChIInChI=1S/C18H26ClNO/c1-18(2)10-13-6-7-14(19)9-16(13)17(18)20-11-12-4-3-5-15(21)8-12/h6-7,9,12,15,17,20-21H,3-5,8,10-11H2,1-2H3
InChIKeySTDHVQXMWIWMQI-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol;hydrochloride
CID 45260249
(1R,3aR,4S,5S,7aR)-5-[(3-chlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71582968
(1R,3aR,4S,5S,7aR)-5-[(2,4-dichlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583074
(1R,3aR,4S,5S,7aR)-5-[(2,3-dichlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583075
(1R,3aR,4R,5S,7aR)-5-[(3-chlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583186
(1R,3aR,4R,5S,7aR)-5-[(2,4-dichlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583189
(1R,3aR,4R,5S,7aR)-5-[(2,3-dichlorophenyl)methylamino]-3a,7a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7-hexahydro-1H-inden-4-ol
CID 71583190
17-[5-[(3-chlorophenyl)methylamino]pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 23277398
17-[5-[(4-chlorophenyl)methylamino]pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 23277399
2-[[3-(3,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 13543894
3-[(6-Chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105643139
3-[(6-Chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1,1-difluoropropan-2-ol
CID 105644048

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol (CID 106123223) is 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol is CC1(C)Cc2ccc(Cl)cc2C1NCC1CCCC(O)C1.
What is the InChIKey of 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is STDHVQXMWIWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-18(2)10-13-6-7-14(19)9-16(13)17(18)20-11-12-4-3-5-15(21)8-12/h6-7,9,12,15,17,20-21H,3-5,8,10-11H2,1-2H3.
What are the key properties of 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 307.86 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106123223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).