6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

C12H14ClN — CID 105461411

IUPAC6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCCc1ccc(Cl)cc12
InChIInChI=1S/C12H14ClN/c13-9-4-3-8-2-1-5-12(7-11(12)14)10(8)6-9/h3-4,6,11H,1-2,5,7,14H2
InChIKeyIHJQCFCVLPZHQD-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.65
Rot. Bonds

About 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine

6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (PubChem CID 105461411) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
PubChem CID105461411
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
SMILESNC1CC12CCCc1ccc(Cl)cc12
InChIInChI=1S/C12H14ClN/c13-9-4-3-8-2-1-5-12(7-11(12)14)10(8)6-9/h3-4,6,11H,1-2,5,7,14H2
InChIKeyIHJQCFCVLPZHQD-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The IUPAC name of 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine (CID 105461411) is 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The canonical SMILES for 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is NC1CC12CCCc1ccc(Cl)cc12.
What is the InChIKey of 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
The InChIKey is IHJQCFCVLPZHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c13-9-4-3-8-2-1-5-12(7-11(12)14)10(8)6-9/h3-4,6,11H,1-2,5,7,14H2.
What are the key properties of 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine?
6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine has a molecular weight of 207.70 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 105461411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).