6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine

C18H28ClNO — CID 83067283

IUPAC6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine
SMILESCC(C)COCCCNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C18H28ClNO/c1-13(2)12-21-9-5-8-20-17-16-10-15(19)7-6-14(16)11-18(17,3)4/h6-7,10,13,17,20H,5,8-9,11-12H2,1-4H3
InChIKeyCXGFUWAIFCTEAG-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.62
Rot. Bonds7

About 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine (PubChem CID 83067283) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine
PubChem CID83067283
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine
SMILESCC(C)COCCCNC1c2cc(Cl)ccc2CC1(C)C
InChIInChI=1S/C18H28ClNO/c1-13(2)12-21-9-5-8-20-17-16-10-15(19)7-6-14(16)11-18(17,3)4/h6-7,10,13,17,20H,5,8-9,11-12H2,1-4H3
InChIKeyCXGFUWAIFCTEAG-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.62
H-Bond Donors ≤ 51
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 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine (CID 83067283) is 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine is CC(C)COCCCNC1c2cc(Cl)ccc2CC1(C)C.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine?
The InChIKey is CXGFUWAIFCTEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-13(2)12-21-9-5-8-20-17-16-10-15(19)7-6-14(16)11-18(17,3)4/h6-7,10,13,17,20H,5,8-9,11-12H2,1-4H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine has a molecular weight of 309.88 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).