6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C16H22ClNO — CID 114708937

IUPAC6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1CCCC2(CC1)CC(N)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO/c1-11-3-2-7-16(8-6-11)10-14(18)13-9-12(17)4-5-15(13)19-16/h4-5,9,11,14H,2-3,6-8,10,18H2,1H3
InChIKeyUWRIEKRCHYJMBA-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.46
Rot. Bonds

About 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 114708937) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID114708937
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1CCCC2(CC1)CC(N)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO/c1-11-3-2-7-16(8-6-11)10-14(18)13-9-12(17)4-5-15(13)19-16/h4-5,9,11,14H,2-3,6-8,10,18H2,1H3
InChIKeyUWRIEKRCHYJMBA-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82388879
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4R)-6-methoxy-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946934

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 114708937) is 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CC1CCCC2(CC1)CC(N)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is UWRIEKRCHYJMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-11-3-2-7-16(8-6-11)10-14(18)13-9-12(17)4-5-15(13)19-16/h4-5,9,11,14H,2-3,6-8,10,18H2,1H3.
What are the key properties of 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 114708937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).