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

C18H26ClNO — CID 83067284

IUPAC6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCOCC1CC1
InChIInChI=1S/C18H26ClNO/c1-18(2)11-14-6-7-15(19)10-16(14)17(18)20-8-3-9-21-12-13-4-5-13/h6-7,10,13,17,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyCWIXBGBZCLBTCJ-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.37
Rot. Bonds7

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

6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83067284) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83067284
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCOCC1CC1
InChIInChI=1S/C18H26ClNO/c1-18(2)11-14-6-7-15(19)10-16(14)17(18)20-8-3-9-21-12-13-4-5-13/h6-7,10,13,17,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyCWIXBGBZCLBTCJ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.37
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-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83067284) is 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCCCOCC1CC1.
What is the InChIKey of 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is CWIXBGBZCLBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-18(2)11-14-6-7-15(19)10-16(14)17(18)20-8-3-9-21-12-13-4-5-13/h6-7,10,13,17,20H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 307.87 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).