3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

C17H24N2O — CID 82047165

IUPAC3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)C1
InChIInChI=1S/C17H24N2O/c1-13-4-5-15-6-7-17(20-16(15)14(13)2)8-11-19(12-17)10-3-9-18/h4-7H,3,8-12,18H2,1-2H3
InChIKeyAZKPTYZVZIAYKA-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.50
Rot. Bonds3

About 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine

3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (PubChem CID 82047165) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
PubChem CID82047165
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine
SMILESCc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)C1
InChIInChI=1S/C17H24N2O/c1-13-4-5-15-6-7-17(20-16(15)14(13)2)8-11-19(12-17)10-3-9-18/h4-7H,3,8-12,18H2,1-2H3
InChIKeyAZKPTYZVZIAYKA-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-Isopropyl-2-methylphenoxy)ethyl]pyrrolidine
CID 803034
1-[2-(2-Tert-butyl-5-methylphenoxy)ethyl]pyrrolidine
CID 803100
US11485708, Compd ID 1.118
CID 155463956
Ethylamine, N,N-diethyl-2-(3-methyl-1-(naphthyloxy))-, hydrochloride
CID 58340
1-[6-(2,3,5-Trimethylphenoxy)hexyl]pyrrolidine
CID 2232723
N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine
CID 90675828
Spiro[3,4,7,8,9,10-hexahydrobenzo[h]chromene-2,4'-piperidine]
CID 168278698
4-[4-(2,3,5-Trimethylphenoxy)butyl]morpholine
CID 2057700
1-[2-(2,3-Dimethylphenoxy)ethyl]pyrrolidine
CID 868369
1-[2-(2,3,5-Trimethylphenoxy)ethyl]pyrrolidine
CID 868437
N-[3-(2,3,6-trimethylphenoxy)propyl]cyclopentanamine
CID 2200002
1-{4-[(2,3,6-Trimethylphenyl)oxy]butyl}piperazine
CID 2581259

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The IUPAC name of 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine (CID 82047165) is 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine.
What is the SMILES notation for 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The canonical SMILES for 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is Cc1ccc2c(c1C)OC1(C=C2)CCN(CCCN)C1.
What is the InChIKey of 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
The InChIKey is AZKPTYZVZIAYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-5-15-6-7-17(20-16(15)14(13)2)8-11-19(12-17)10-3-9-18/h4-7H,3,8-12,18H2,1-2H3.
What are the key properties of 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine?
3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethylspiro[chromene-2,3'-pyrrolidine]-1'-yl)propan-1-amine is sourced from PubChem (CID 82047165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).