6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine

C17H26ClNO — CID 114711494

IUPAC6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(CC(C)C)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H26ClNO/c1-5-8-19-15-11-17(4,10-12(2)3)20-16-7-6-13(18)9-14(15)16/h6-7,9,12,15,19H,5,8,10-11H2,1-4H3
InChIKeyRSYPEZSKFPJEPY-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.97
Rot. Bonds5

About 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine

6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 114711494) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID114711494
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(CC(C)C)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H26ClNO/c1-5-8-19-15-11-17(4,10-12(2)3)20-16-7-6-13(18)9-14(15)16/h6-7,9,12,15,19H,5,8,10-11H2,1-4H3
InChIKeyRSYPEZSKFPJEPY-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
2-(cyclopropylmethyl)-2-methyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712415
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine (CID 114711494) is 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(C)(CC(C)C)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is RSYPEZSKFPJEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-5-8-19-15-11-17(4,10-12(2)3)20-16-7-6-13(18)9-14(15)16/h6-7,9,12,15,19H,5,8,10-11H2,1-4H3.
What are the key properties of 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine?
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 295.85 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114711494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).