(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C18H27NO2 — CID 104946976

IUPAC(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCC1CCCC2(CC1)C[C@@H](N)c1cc(OC)ccc1O2
InChIInChI=1S/C18H27NO2/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16H,3-5,8-10,12,19H2,1-2H3/t13?,16-,18?/m1/s1
InChIKeyPKFWKXLQJUHWDI-CRPOECCBSA-N
MW289.42 g/mol
LogP4.21
Rot. Bonds2

About (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 104946976) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID104946976
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCC1CCCC2(CC1)C[C@@H](N)c1cc(OC)ccc1O2
InChIInChI=1S/C18H27NO2/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16H,3-5,8-10,12,19H2,1-2H3/t13?,16-,18?/m1/s1
InChIKeyPKFWKXLQJUHWDI-CRPOECCBSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine with MolForge

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Related Compounds

(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-1'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946857
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
6-methoxyspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114709853
(4S)-6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130108
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
6-butoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462803
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149

Frequently Asked Questions

What is the IUPAC name of (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 104946976) is (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CCC1CCCC2(CC1)C[C@@H](N)c1cc(OC)ccc1O2.
What is the InChIKey of (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is PKFWKXLQJUHWDI-CRPOECCBSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-13-5-4-9-18(10-8-13)12-16(19)15-11-14(20-2)6-7-17(15)21-18/h6-7,11,13,16H,3-5,8-10,12,19H2,1-2H3/t13?,16-,18?/m1/s1.
What are the key properties of (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
(4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 104946976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).