3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

C16H23ClN2O — CID 82047542

IUPAC3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1cc(Cl)cc2c1OC1(CC2)CCN(CCCN)C1
InChIInChI=1S/C16H23ClN2O/c1-12-9-14(17)10-13-3-4-16(20-15(12)13)5-8-19(11-16)7-2-6-18/h9-10H,2-8,11,18H2,1H3
InChIKeyHZYBVTWVDVNREM-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.77
Rot. Bonds3

About 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (PubChem CID 82047542) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
PubChem CID82047542
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1cc(Cl)cc2c1OC1(CC2)CCN(CCCN)C1
InChIInChI=1S/C16H23ClN2O/c1-12-9-14(17)10-13-3-4-16(20-15(12)13)5-8-19(11-16)7-2-6-18/h9-10H,2-8,11,18H2,1H3
InChIKeyHZYBVTWVDVNREM-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
2-spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-ylethanamine
CID 82047486
3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047165
2-(7-ethoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047504
3-(6,7-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
CID 82047166
3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
3-(1-tert-butyl-5-chlorospiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 58172176
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
CID 71713916
3-(7,8-dimethylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-amine
CID 82046989
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (CID 82047542) is 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is Cc1cc(Cl)cc2c1OC1(CC2)CCN(CCCN)C1.
What is the InChIKey of 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The InChIKey is HZYBVTWVDVNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-9-14(17)10-13-3-4-16(20-15(12)13)5-8-19(11-16)7-2-6-18/h9-10H,2-8,11,18H2,1H3.
What are the key properties of 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine has a molecular weight of 294.83 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-8-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is sourced from PubChem (CID 82047542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).