7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

C16H22ClN — CID 171575376

IUPAC7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCN1Cc2cc(C(C)(C)C)cc(Cl)c2C2(CC2)C1
InChIInChI=1S/C16H22ClN/c1-15(2,3)12-7-11-9-18(4)10-16(5-6-16)14(11)13(17)8-12/h7-8H,5-6,9-10H2,1-4H3
InChIKeyYJFWCIOTQCVUIQ-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.11
Rot. Bonds

About 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (PubChem CID 171575376) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
PubChem CID171575376
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCN1Cc2cc(C(C)(C)C)cc(Cl)c2C2(CC2)C1
InChIInChI=1S/C16H22ClN/c1-15(2,3)12-7-11-9-18(4)10-16(5-6-16)14(11)13(17)8-12/h7-8H,5-6,9-10H2,1-4H3
InChIKeyYJFWCIOTQCVUIQ-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The IUPAC name of 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (CID 171575376) is 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is CN1Cc2cc(C(C)(C)C)cc(Cl)c2C2(CC2)C1.
What is the InChIKey of 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The InChIKey is YJFWCIOTQCVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-15(2,3)12-7-11-9-18(4)10-16(5-6-16)14(11)13(17)8-12/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] has a molecular weight of 263.81 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-chloro-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 171575376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).