(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine

C17H24ClNO — CID 104945288

IUPAC(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
SMILESCC1CC(C)(C)CC2(C1)C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C17H24ClNO/c1-11-7-16(2,3)10-17(8-11)9-14(19)13-6-12(18)4-5-15(13)20-17/h4-6,11,14H,7-10,19H2,1-3H3/t11?,14-,17?/m0/s1
InChIKeyQBKXWLYOIDLUTD-WKXXDYOBSA-N
MW293.84 g/mol
LogP4.71
Rot. Bonds

About (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine

(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine (PubChem CID 104945288) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
PubChem CID104945288
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
SMILESCC1CC(C)(C)CC2(C1)C[C@H](N)c1cc(Cl)ccc1O2
InChIInChI=1S/C17H24ClNO/c1-11-7-16(2,3)10-17(8-11)9-14(19)13-6-12(18)4-5-15(13)20-17/h4-6,11,14H,7-10,19H2,1-3H3/t11?,14-,17?/m0/s1
InChIKeyQBKXWLYOIDLUTD-WKXXDYOBSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114708917
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
6-chloro-2'-ethyl-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709105
(4S)-6-chlorospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104945232
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine (CID 104945288) is (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine is CC1CC(C)(C)CC2(C1)C[C@H](N)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
The InChIKey is QBKXWLYOIDLUTD-WKXXDYOBSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-11-7-16(2,3)10-17(8-11)9-14(19)13-6-12(18)4-5-15(13)20-17/h4-6,11,14H,7-10,19H2,1-3H3/t11?,14-,17?/m0/s1.
What are the key properties of (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine?
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine has a molecular weight of 293.84 g/mol, XLogP of 4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine is sourced from PubChem (CID 104945288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).