6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

C17H26ClNO — CID 114868304

IUPAC6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCC(C)CC1(CC(C)C)CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H26ClNO/c1-11(2)8-17(9-12(3)4)10-15(19)14-7-13(18)5-6-16(14)20-17/h5-7,11-12,15H,8-10,19H2,1-4H3
InChIKeyPPSXZHKXTBAEHB-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.95
Rot. Bonds4

About 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 114868304) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID114868304
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCC(C)CC1(CC(C)C)CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H26ClNO/c1-11(2)8-17(9-12(3)4)10-15(19)14-7-13(18)5-6-16(14)20-17/h5-7,11-12,15H,8-10,19H2,1-4H3
InChIKeyPPSXZHKXTBAEHB-UHFFFAOYSA-N
XLogP4.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
CID 104945315
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
(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
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 114868304) is 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is CC(C)CC1(CC(C)C)CC(N)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is PPSXZHKXTBAEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-11(2)8-17(9-12(3)4)10-15(19)14-7-13(18)5-6-16(14)20-17/h5-7,11-12,15H,8-10,19H2,1-4H3.
What are the key properties of 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 295.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).