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

C14H20ClNO — CID 83067295

IUPAC3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCO
InChIInChI=1S/C14H20ClNO/c1-14(2)9-10-4-5-11(15)8-12(10)13(14)16-6-3-7-17/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyDDGOVQAAUVJHIL-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.94
Rot. Bonds4

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

3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol (PubChem CID 83067295) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
PubChem CID83067295
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCO
InChIInChI=1S/C14H20ClNO/c1-14(2)9-10-4-5-11(15)8-12(10)13(14)16-6-3-7-17/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3
InChIKeyDDGOVQAAUVJHIL-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.94
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 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol (CID 83067295) is 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol is CC1(C)Cc2ccc(Cl)cc2C1NCCCO.
What is the InChIKey of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol?
The InChIKey is DDGOVQAAUVJHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2)9-10-4-5-11(15)8-12(10)13(14)16-6-3-7-17/h4-5,8,13,16-17H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol?
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.94, 4 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]propan-1-ol is sourced from PubChem (CID 83067295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).